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

Systemtic Name: (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-1-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)-1-[4-(2-thenyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=CS3)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=CS3)OC

InChI

InChI=1S/C22H28N2O3S/c1-17(2)27-20-8-6-18(15-21(20)26-3)7-9-22(25)24-12-10-23(11-13-24)16-19-5-4-14-28-19/h4-9,14-15,17H,10-13,16H2,1-3H3/p+1/b9-7+