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

Systemtic Name: (2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methyl-5-pyrrolidinosulfonyl-phenyl)methanone Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3S/c1-19-9-10-21(30(28,29)26-11-5-6-12-26)17-22(19)23(27)25-15-13-24(14-16-25)18-20-7-3-2-4-8-20/h2-4,7-10,17H,5-6,11-16,18H2,1H3/p+1