4-(1,3-benzothiazol-2-yl)-2-[[2-(1H-indol-3-yl)ethylazaniumyl]methyl]phenolate

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-2-[[2-(1H-indol-3-yl)ethylazaniumyl]methyl]phenolate Openeye Name: 4-(1,3-benzothiazol-2-yl)-2-[[2-(1H-indol-3-yl)ethylammonio]methyl]phenolate CAS Name: 4-(1,3-benzothiazol-2-yl)-2-[[2-(1H-indol-3-yl)ethylammonio]methyl]phenolate IUPAC Name: 4-(1,3-benzothiazol-2-yl)-2-[[2-(1H-indol-3-yl)ethylazaniumyl]methyl]phenolate Traditional Name: 4-(1,3-benzothiazol-2-yl)-2-[[2-(1H-indol-3-yl)ethylammonio]methyl]phenolate Formula: C24H21N3OS MolecularWeight: 399.50804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC[NH2+]CC3=C(C=CC(=C3)C4=NC5=CC=CC=C5S4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC[NH2+]CC3=C(C=CC(=C3)C4=NC5=CC=CC=C5S4)[O-]

InChI

InChI=1S/C24H21N3OS/c28-22-10-9-16(24-27-21-7-3-4-8-23(21)29-24)13-18(22)14-25-12-11-17-15-26-20-6-2-1-5-19(17)20/h1-10,13,15,25-26,28H,11-12,14H2