(2R)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-phenyl-butanamide

Systemtic Name: (2R)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-phenyl-butanamide Openeye Name: (2R)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-phenyl-butanamide CAS Name: (2R)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-N-phenylbutanamide IUPAC Name: (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-N-phenylbutanamide Traditional Name: (2R)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-phenyl-butyramide Formula: C20H31N4O2+ MolecularWeight: 359.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=CC=C1)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C20H30N4O2/c1-2-18(20(26)21-17-8-4-3-5-9-17)23-14-12-22(13-15-23)16-19(25)24-10-6-7-11-24/h3-5,8-9,18H,2,6-7,10-16H2,1H3,(H,21,26)/p+1/t18-/m1/s1