propyl 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: propyl 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: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C29H35ClN5O5S+ MolecularWeight: 601.1367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=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

CCCOC(=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/C29H34ClN5O5S/c1-2-17-40-29(37)32-35(41(38,39)27-6-4-23-18-25(30)5-3-24(23)19-27)16-15-34(28(36)21-35)20-22-9-13-33(14-10-22)26-7-11-31-12-8-26/h3-8,11-12,18-19,22H,2,9-10,13-17,20-21H2,1H3/p+1