(2R)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: (2R)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: (2R)-N-(benzylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: (2R)-N-(benzylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(benzylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N4O3/c1-17(21(27)24-22(28)23-16-18-6-4-3-5-7-18)25-12-14-26(15-13-25)19-8-10-20(29-2)11-9-19/h3-11,17H,12-16H2,1-2H3,(H2,23,24,27,28)/p+1/t17-/m1/s1