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

Systemtic Name: (2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-methyl-5-pyrrolidinosulfonyl-phenyl)-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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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)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4S/c1-20-9-10-22(32(29,30)27-11-5-6-12-27)19-23(20)24(28)26-15-13-25(14-16-26)17-18-31-21-7-3-2-4-8-21/h2-4,7-10,19H,5-6,11-18H2,1H3/p+1