[1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl] ethanoate

Systemtic Name: [1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl] ethanoate Openeye Name: [1-[(6-chloro-2-naphthyl)sulfonyl]-3-oxo-4-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-1-ium-1-yl] acetate CAS Name: acetic acid [1-[(6-chloro-2-naphthalenyl)sulfonyl]-3-oxo-4-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-piperazin-1-iumyl] ester IUPAC Name: [1-(6-chloronaphthalen-2-yl)sulfonyl-3-oxo-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl] acetate Traditional Name: acetic acid [1-[(6-chloro-2-naphthyl)sulfonyl]-3-keto-4-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-1-ium-1-yl] ester Formula: C27H30ClN4O5S+ MolecularWeight: 558.0689

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O[N+]1(CCN(C(=O)C1)CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

Isomeric SMILES

CC(=O)O[N+]1(CCN(C(=O)C1)CC2CCN(CC2)C3=CC=NC=C3)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)Cl

InChI

InChI=1S/C27H30ClN4O5S/c1-20(33)37-32(38(35,36)26-5-3-22-16-24(28)4-2-23(22)17-26)15-14-31(27(34)19-32)18-21-8-12-30(13-9-21)25-6-10-29-11-7-25/h2-7,10-11,16-17,21H,8-9,12-15,18-19H2,1H3/q+1