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

Systemtic Name: N-[(Z)-(4-methoxy-3-oxidanyl-phenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-(3-hydroxy-4-methoxy-phenyl)methyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-(3-hydroxy-4-methoxy-benzylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N\NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H26N4O3/c1-28-20-8-7-17(15-19(20)26)16-22-23-21(27)9-10-24-11-13-25(14-12-24)18-5-3-2-4-6-18/h2-8,15-16,26H,9-14H2,1H3,(H,23,27)/p+1/b22-16-