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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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