1,4-diazepan-4-ium-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCC[NH2+]CC3)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCC[NH2+]CC3)C

InChI

InChI=1S/C16H21N3O/c1-11-12(2)18-15-5-4-13(10-14(11)15)16(20)19-8-3-6-17-7-9-19/h4-5,10,17-18H,3,6-9H2,1-2H3/p+1