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

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C21H26ClN2O3S+ MolecularWeight: 421.96074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3S/c1-3-27-19-13-16(12-18(22)21(19)26-2)4-5-20(25)24-9-7-23(8-10-24)14-17-6-11-28-15-17/h4-6,11-13,15H,3,7-10,14H2,1-2H3/p+1/b5-4+