(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-2-propenamide IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)acrylamide Formula: C17H25ClN3O3+ MolecularWeight: 354.8517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)NN2CC[NH+](CC2)C)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)NN2CC[NH+](CC2)C)Cl)OC

InChI

InChI=1S/C17H24ClN3O3/c1-4-24-15-12-13(11-14(18)17(15)23-3)5-6-16(22)19-21-9-7-20(2)8-10-21/h5-6,11-12H,4,7-10H2,1-3H3,(H,19,22)/p+1/b6-5+