1-[[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[3-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[3-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]benzyl]-2-pyrrolidone Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H29N3O2/c31-26-12-5-13-30(26)19-21-6-3-9-23(18-21)27(32)29-16-14-28(15-17-29)20-24-10-4-8-22-7-1-2-11-25(22)24/h1-4,6-11,18H,5,12-17,19-20H2/p+1