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

Systemtic Name: 2-methoxyethyl N-[1-(6-chloranylnaphthalen-2-yl)sulfonyl-3-oxidanylidene-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]carbamate Openeye Name: 2-methoxyethyl N-[1-[(6-chloro-2-naphthyl)sulfonyl]-3-oxo-4-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-1-ium-1-yl]carbamate CAS Name: N-[1-[(6-chloro-2-naphthalenyl)sulfonyl]-3-oxo-4-[(1-pyridin-4-yl-4-piperidinyl)methyl]-1-piperazin-1-iumyl]carbamic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl N-[1-(6-chloronaphthalen-2-yl)sulfonyl-3-oxo-4-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-1-ium-1-yl]carbamate Traditional Name: N-[1-[(6-chloro-2-naphthyl)sulfonyl]-3-keto-4-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazin-1-ium-1-yl]carbamic acid 2-methoxyethyl ester Formula: C29H35ClN5O6S+ MolecularWeight: 617.1361

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)N[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

COCCOC(=O)N[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/C29H34ClN5O6S/c1-40-16-17-41-29(37)32-35(42(38,39)27-5-3-23-18-25(30)4-2-24(23)19-27)15-14-34(28(36)21-35)20-22-8-12-33(13-9-22)26-6-10-31-11-7-26/h2-7,10-11,18-19,22H,8-9,12-17,20-21H2,1H3/p+1