N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CC[NH+]1CCN(CC1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N/NC(=O)CC[NH+]1CCN(CC1)C2=CC=CC=C2)/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O3/c1-17(18-7-9-20(10-8-18)26(28)29)22-23-21(27)11-12-24-13-15-25(16-14-24)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,23,27)/p+1/b22-17-