(E)-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]-3-(2-thienyl)prop-2-en-1-one Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C=CC3=CC=CS3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=CS3)OC)OC

InChI

InChI=1S/C21H26N2O3S/c1-16-13-19(25-2)20(26-3)14-17(16)15-22-8-10-23(11-9-22)21(24)7-6-18-5-4-12-27-18/h4-7,12-14H,8-11,15H2,1-3H3/p+1/b7-6+