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

Systemtic Name: 3-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]propanamide CAS Name: 3-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: N-(benzylcarbamoyl)-3-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]propionamide Formula: C21H32N5O4+ MolecularWeight: 418.50988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)CCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)CCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H31N5O4/c27-19(23-21(29)22-16-18-4-2-1-3-5-18)6-7-24-8-10-25(11-9-24)17-20(28)26-12-14-30-15-13-26/h1-5H,6-17H2,(H2,22,23,27,29)/p+1