2-[[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]azaniumyl]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]azaniumyl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]ammonio]methyl]thiazole-4-carboxylate CAS Name: 2-[[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]ammonio]methyl]-4-thiazolecarboxylate IUPAC Name: 2-[[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]azaniumyl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[2-(1H-indol-3-yl)ethyl-p-anisyl-ammonio]methyl]thiazole-4-carboxylate Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CCC2=CNC3=CC=CC=C32)CC4=NC(=CS4)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CCC2=CNC3=CC=CC=C32)CC4=NC(=CS4)C(=O)[O-]

InChI

InChI=1S/C23H23N3O3S/c1-29-18-8-6-16(7-9-18)13-26(14-22-25-21(15-30-22)23(27)28)11-10-17-12-24-20-5-3-2-4-19(17)20/h2-9,12,15,24H,10-11,13-14H2,1H3,(H,27,28)