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

Systemtic Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-(3-pyrrolidinosulfonylphenyl)methanone Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c27-23(20-7-6-10-22(19-20)31(28,29)26-11-4-5-12-26)25-15-13-24(14-16-25)17-18-30-21-8-2-1-3-9-21/h1-3,6-10,19H,4-5,11-18H2/p+1