dimethyl-[2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]ethyl]-nonyl-azanium iodide

Systemtic Name: dimethyl-[2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]ethyl]-nonyl-azanium iodide Openeye Name: dimethyl-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]ethyl]-nonyl-ammonium iodide CAS Name: dimethyl-[2-[[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)-oxomethyl]amino]ethyl]-nonylammonium iodide IUPAC Name: dimethyl-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]ethyl]-nonylazanium iodide Traditional Name: dimethyl-[2-[(1-methyl-9H-$b-carboline-3-carbonyl)amino]ethyl]-nonyl-ammonium iodide Formula: C26H39IN4O MolecularWeight: 550.51853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+](C)(C)CCNC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C.[I-]

Isomeric SMILES

CCCCCCCCC[N+](C)(C)CCNC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C.[I-]

InChI

InChI=1S/C26H38N4O.HI/c1-5-6-7-8-9-10-13-17-30(3,4)18-16-27-26(31)24-19-22-21-14-11-12-15-23(21)29-25(22)20(2)28-24;/h11-12,14-15,19H,5-10,13,16-18H2,1-4H3,(H-,27,28,29,31);1H