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

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-pyrrolidinosulfonylphenyl)methanone Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/c26-22(24-15-13-23(14-16-24)18-19-7-2-1-3-8-19)20-9-6-10-21(17-20)29(27,28)25-11-4-5-12-25/h1-3,6-10,17H,4-5,11-16,18H2/p+1