(4S)-1-butyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one

Systemtic Name: (4S)-1-butyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one Openeye Name: (4S)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butyl-pyrrolidin-2-one CAS Name: (4S)-1-butyl-4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-pyrrolidinone IUPAC Name: (4S)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one Traditional Name: (4S)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butyl-2-pyrrolidone Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(CC1=O)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C[C@H](CC1=O)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H29N3O2/c1-2-3-9-23-16-18(14-19(23)24)20(25)22-12-10-21(11-13-22)15-17-7-5-4-6-8-17/h4-8,18H,2-3,9-16H2,1H3/p+1/t18-/m0/s1