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

Systemtic Name: [4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-[3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-(3-pyrrolidinosulfonylphenyl)methanone Formula: C26H30N3O3S+ MolecularWeight: 464.5997

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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=CC5=CC=CC=C54

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H29N3O3S/c30-26(22-9-6-11-24(19-22)33(31,32)29-13-3-4-14-29)28-17-15-27(16-18-28)20-23-10-5-8-21-7-1-2-12-25(21)23/h1-2,5-12,19H,3-4,13-18,20H2/p+1