N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-(4-cyanophenyl)methyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-(4-cyanophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-(4-cyanobenzylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O/c22-16-18-6-8-19(9-7-18)17-23-24-21(27)10-11-25-12-14-26(15-13-25)20-4-2-1-3-5-20/h1-9,17H,10-15H2,(H,24,27)/p+1/b23-17-