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

Systemtic Name: 3-[4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-[4-[2-(isobutylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]propanamide CAS Name: 3-[4-[2-(2-methylpropylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-4-ium-1-yl]propanamide Traditional Name: N-(benzylcarbamoyl)-3-[4-[2-(isobutylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]propionamide Formula: C21H34N5O3+ MolecularWeight: 404.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCN(CC1)CCC(=O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCN(CC1)CCC(=O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H33N5O3/c1-17(2)14-22-20(28)16-26-12-10-25(11-13-26)9-8-19(27)24-21(29)23-15-18-6-4-3-5-7-18/h3-7,17H,8-16H2,1-2H3,(H,22,28)(H2,23,24,27,29)/p+1