(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-en-1-one Formula: C23H28ClN2O3+ MolecularWeight: 415.93302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C23H27ClN2O3/c1-3-29-21-16-19(15-20(24)23(21)28-2)9-10-22(27)26-13-11-25(12-14-26)17-18-7-5-4-6-8-18/h4-10,15-16H,3,11-14,17H2,1-2H3/p+1/b10-9+