3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-4-(4-ethylphenyl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-4-(4-ethylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-4-(4-ethylphenyl)thiazol-3-ium-2-amine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-4-(4-ethylphenyl)-2-thiazol-3-iumamine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-4-(4-ethylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [4-(4-ethylphenyl)-3-piperonyl-thiazol-3-ium-2-yl]-p-phenetyl-amine Formula: C27H27N2O3S+ MolecularWeight: 459.57988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC4=C(C=C3)OCO4)NC5=CC=C(C=C5)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CC4=C(C=C3)OCO4)NC5=CC=C(C=C5)OCC

InChI

InChI=1S/C27H26N2O3S/c1-3-19-5-8-21(9-6-19)24-17-33-27(28-22-10-12-23(13-11-22)30-4-2)29(24)16-20-7-14-25-26(15-20)32-18-31-25/h5-15,17H,3-4,16,18H2,1-2H3/p+1