N-[(Z)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[(Z)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-(5-bromo-2-methoxy-phenyl)methyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-(5-bromo-2-methoxy-benzylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H26BrN4O2+ MolecularWeight: 446.36074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O2/c1-28-20-8-7-18(22)15-17(20)16-23-24-21(27)9-10-25-11-13-26(14-12-25)19-5-3-2-4-6-19/h2-8,15-16H,9-14H2,1H3,(H,24,27)/p+1/b23-16-