ethyl 4-[[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzoate

Systemtic Name: ethyl 4-[[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzoate Openeye Name: ethyl 4-[[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]benzoate CAS Name: 4-[[2-oxo-1-(1-piperidin-1-iumylmethyl)-3-indolylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzoate Traditional Name: 4-[[2-keto-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]benzoic acid ethyl ester Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCCC4

InChI

InChI=1S/C23H25N3O3/c1-2-29-23(28)17-10-12-18(13-11-17)24-21-19-8-4-5-9-20(19)26(22(21)27)16-25-14-6-3-7-15-25/h4-5,8-13H,2-3,6-7,14-16H2,1H3/p+1