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

Systemtic Name: 3-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]propanamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-3-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: N-(benzylcarbamoyl)-3-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]propionamide Formula: C22H34N5O3+ MolecularWeight: 416.53706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H33N5O3/c28-20(24-22(30)23-17-19-7-3-1-4-8-19)9-12-25-13-15-26(16-14-25)18-21(29)27-10-5-2-6-11-27/h1,3-4,7-8H,2,5-6,9-18H2,(H2,23,24,28,30)/p+1