3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]propanamide

Systemtic Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]propanamide Openeye Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(2,4,6-trimethylphenyl)methyleneamino]propanamide CAS Name: 3-(4-phenyl-1-piperazin-1-iumyl)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]propanamide IUPAC Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]propanamide Traditional Name: 3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-(2,4,6-trimethylbenzylidene)amino]propionamide Formula: C23H31N4O+ MolecularWeight: 379.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C=NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)/C=N\NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)C

InChI

InChI=1S/C23H30N4O/c1-18-15-19(2)22(20(3)16-18)17-24-25-23(28)9-10-26-11-13-27(14-12-26)21-7-5-4-6-8-21/h4-8,15-17H,9-14H2,1-3H3,(H,25,28)/p+1/b24-17-