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

Systemtic Name: N-[(Z)-(4-acetamidophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(Z)-(4-acetamidophenyl)methyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(Z)-(4-acetamidophenyl)methylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(Z)-(4-acetamidophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(Z)-(4-acetamidobenzylidene)amino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=NNC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)/C=N\NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H27N5O2/c1-18(28)24-20-9-7-19(8-10-20)17-23-25-22(29)11-12-26-13-15-27(16-14-26)21-5-3-2-4-6-21/h2-10,17H,11-16H2,1H3,(H,24,28)(H,25,29)/p+1/b23-17-