4-chloranyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-chloro-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-piperidinosulfonyl-benzamide Formula: C24H32ClN4O3S+ MolecularWeight: 492.05388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H31ClN4O3S/c25-22-10-9-20(19-23(22)33(31,32)29-12-5-2-6-13-29)24(30)26-11-14-27-15-17-28(18-16-27)21-7-3-1-4-8-21/h1,3-4,7-10,19H,2,5-6,11-18H2,(H,26,30)/p+1