N-[(Z)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[(Z)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-(4-chloro-3-nitro-phenyl)methyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-(4-chloro-3-nitro-benzylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C20H23ClN5O3+ MolecularWeight: 416.88132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NN=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N/N=C\C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H22ClN5O3/c21-18-7-6-16(14-19(18)26(28)29)15-22-23-20(27)8-9-24-10-12-25(13-11-24)17-4-2-1-3-5-17/h1-7,14-15H,8-13H2,(H,23,27)/p+1/b22-15-