N-[(S)-cyclopropyl(phenyl)methyl]-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(S)-cyclopropyl(phenyl)methyl]-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-[(S)-cyclopropyl(phenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(S)-cyclopropyl(phenyl)methyl]-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(S)-cyclopropyl(phenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-[(S)-cyclopropyl(phenyl)methyl]-4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-carboxamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)NC(C3CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)N[C@@H](C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H30N4O2/c26-19(24-10-4-5-11-24)16-23-12-14-25(15-13-23)21(27)22-20(18-8-9-18)17-6-2-1-3-7-17/h1-3,6-7,18,20H,4-5,8-16H2,(H,22,27)/p+1/t20-/m1/s1