1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one CAS Name: 1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-3-(4-pyrrolidinosulfonylphenyl)propan-1-one Formula: C25H34N3O4S+ MolecularWeight: 472.62016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O4S/c29-25(27-18-16-26(17-19-27)20-21-32-23-6-2-1-3-7-23)13-10-22-8-11-24(12-9-22)33(30,31)28-14-4-5-15-28/h1-3,6-9,11-12H,4-5,10,13-21H2/p+1