1-[[4-[3-(1,4-diazepan-1-yl)-3-oxidanylidene-propyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3H-indol-1-ium-2-one

Systemtic Name: 1-[[4-[3-(1,4-diazepan-1-yl)-3-oxidanylidene-propyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3H-indol-1-ium-2-one Openeye Name: 1-[[4-[3-(1,4-diazepan-1-yl)-3-oxo-propyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylene]indolin-1-ium-2-one CAS Name: 1-[[4-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3H-indol-1-ium-2-one IUPAC Name: 1-[[4-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-3H-indol-1-ium-2-one Traditional Name: 1-[[4-[3-(1,4-diazepan-1-yl)-3-keto-propyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylene]indolin-1-ium-2-one Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)N2CCCNCC2)C)C=[N+]3C(=O)CC4=CC=CC=C43

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)N2CCCNCC2)C)C=[N+]3C(=O)CC4=CC=CC=C43

InChI

InChI=1S/C23H28N4O2/c1-16-19(8-9-22(28)26-12-5-10-24-11-13-26)17(2)25-20(16)15-27-21-7-4-3-6-18(21)14-23(27)29/h3-4,6-7,15,24H,5,8-14H2,1-2H3/p+1