N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-4-(dimethylamino)benzamide

Systemtic Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-4-(dimethylamino)benzamide Openeye Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]-4-(dimethylamino)benzamide CAS Name: N-[(E)-[1-(1-azepan-1-iumylmethyl)-2-oxo-3-indolylidene]amino]-4-(dimethylamino)benzamide IUPAC Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxoindol-3-ylidene]amino]-4-(dimethylamino)benzamide Traditional Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]-4-(dimethylamino)benzamide Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)NN=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCCCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N/N=C/2\C3=CC=CC=C3N(C2=O)C[NH+]4CCCCCC4

InChI

InChI=1S/C24H29N5O2/c1-27(2)19-13-11-18(12-14-19)23(30)26-25-22-20-9-5-6-10-21(20)29(24(22)31)17-28-15-7-3-4-8-16-28/h5-6,9-14H,3-4,7-8,15-17H2,1-2H3,(H,26,30)/p+1/b25-22+