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

Systemtic Name: N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-1-(3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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