(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-chloro-5-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [2-chloro-5-(1-piperidinylsulfonyl)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-chloro-5-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-chloro-5-piperidinosulfonyl-phenyl)methanone Formula: C23H29ClN3O3S+ MolecularWeight: 463.01266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28ClN3O3S/c24-22-10-9-20(31(29,30)27-11-5-2-6-12-27)17-21(22)23(28)26-15-13-25(14-16-26)18-19-7-3-1-4-8-19/h1,3-4,7-10,17H,2,5-6,11-16,18H2/p+1