3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: N-(benzylcarbamoyl)-3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]propionamide Formula: C21H32N5O3+ MolecularWeight: 402.51048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O3/c27-19(23-21(29)22-16-18-6-2-1-3-7-18)8-11-24-12-14-25(15-13-24)17-20(28)26-9-4-5-10-26/h1-3,6-7H,4-5,8-17H2,(H2,22,23,27,29)/p+1