2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1,4-diium-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1,4-diium-1-yl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(benzylcarbamoyl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazine-1,4-diium-1-yl]acetamide Formula: C20H31N5O3+2 MolecularWeight: 389.49184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H29N5O3/c26-18(22-20(28)21-14-17-6-2-1-3-7-17)15-23-10-12-24(13-11-23)16-19(27)25-8-4-5-9-25/h1-3,6-7H,4-5,8-16H2,(H2,21,22,26,28)/p+2