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

Systemtic Name: (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: (2R)-N-(benzylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: (2R)-N-(benzylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(benzylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-16(20(27)23-21(28)22-15-17-5-3-2-4-6-17)24-11-13-25(14-12-24)18-7-9-19(26)10-8-18/h2-10,16,26H,11-15H2,1H3,(H2,22,23,27,28)/p+1/t16-/m1/s1