(2S)-N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(4-nitrophenyl)propanamide CAS Name: (2S)-N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-nitrophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(4-nitrophenyl)propionamide Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3/c1-18(22(27)23-20-9-11-21(12-10-20)26(28)29)25-16-14-24(15-17-25)13-5-8-19-6-3-2-4-7-19/h2-12,18H,13-17H2,1H3,(H,23,27)/p+1/b8-5+/t18-/m0/s1