1-azanyl-3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-methyl-2-[1-(2-methylpyridin-4-yl)piperidin-4-yl]-6-oxidanylidene-piperazin-1-ium-2-carboxylic acid

Systemtic Name: 1-azanyl-3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-methyl-2-[1-(2-methylpyridin-4-yl)piperidin-4-yl]-6-oxidanylidene-piperazin-1-ium-2-carboxylic acid Openeye Name: 1-amino-3-[(6-chloro-2-naphthyl)sulfonyl]-1-methyl-2-[1-(2-methyl-4-pyridyl)-4-piperidyl]-6-oxo-piperazin-1-ium-2-carboxylic acid CAS Name: 1-amino-3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-methyl-2-[1-(2-methyl-4-pyridinyl)-4-piperidinyl]-6-oxo-2-piperazin-1-iumcarboxylic acid IUPAC Name: 1-amino-3-(6-chloronaphthalen-2-yl)sulfonyl-1-methyl-2-[1-(2-methylpyridin-4-yl)piperidin-4-yl]-6-oxopiperazin-1-ium-2-carboxylic acid Traditional Name: 1-amino-3-[(6-chloro-2-naphthyl)sulfonyl]-6-keto-1-methyl-2-[1-(2-methyl-4-pyridyl)-4-piperidyl]piperazin-1-ium-2-carboxylic acid Formula: C27H31ClN5O5S+ MolecularWeight: 573.08354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)N2CCC(CC2)C3(C(NCC(=O)[N+]3(C)N)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)C(=O)O

Isomeric SMILES

CC1=NC=CC(=C1)N2CCC(CC2)C3(C(NCC(=O)[N+]3(C)N)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C27H30ClN5O5S/c1-17-13-22(7-10-30-17)32-11-8-20(9-12-32)27(26(35)36)25(31-16-24(34)33(27,2)29)39(37,38)23-6-4-18-14-21(28)5-3-19(18)15-23/h3-7,10,13-15,20,25,31H,8-9,11-12,16,29H2,1-2H3/p+1