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

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3/c1-3-29-20-15-18(14-19(23)22(20)28-2)4-5-21(27)26-12-10-25(11-13-26)16-17-6-8-24-9-7-17/h4-9,14-15H,3,10-13,16H2,1-2H3/p+1/b5-4+