1-(2,6-diethylphenyl)-3-[[1-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]thiourea

Systemtic Name: 1-(2,6-diethylphenyl)-3-[[1-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-indol-3-ylidene]amino]thiourea Openeye Name: 1-(2,6-diethylphenyl)-3-[[1-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-indolin-3-ylidene]amino]thiourea CAS Name: 1-(2,6-diethylphenyl)-3-[[1-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-3-indolylidene]amino]thiourea IUPAC Name: 1-(2,6-diethylphenyl)-3-[[1-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxoindol-3-ylidene]amino]thiourea Traditional Name: 1-(2,6-diethylphenyl)-3-[[2-keto-1-[(4-methylpiperidin-1-ium-1-yl)methyl]indolin-3-ylidene]amino]thiourea Formula: C26H34N5OS+ MolecularWeight: 464.64606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC(CC4)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC(CC4)C

InChI

InChI=1S/C26H33N5OS/c1-4-19-9-8-10-20(5-2)23(19)27-26(33)29-28-24-21-11-6-7-12-22(21)31(25(24)32)17-30-15-13-18(3)14-16-30/h6-12,18H,4-5,13-17H2,1-3H3,(H2,27,29,33)/p+1