[3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-1-yl]methyl-dimethyl-azanium

Systemtic Name: [3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-1-yl]methyl-dimethyl-azanium Openeye Name: [3-[2-(azepan-1-yl)-2-oxo-ethyl]indol-1-yl]methyl-dimethyl-ammonium CAS Name: [3-[2-(1-azepanyl)-2-oxoethyl]-1-indolyl]methyl-dimethylammonium IUPAC Name: [3-[2-(azepan-1-yl)-2-oxoethyl]indol-1-yl]methyl-dimethylazanium Traditional Name: [3-[2-(azepan-1-yl)-2-keto-ethyl]indol-1-yl]methyl-dimethyl-ammonium Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CN1C=C(C2=CC=CC=C21)CC(=O)N3CCCCCC3

Isomeric SMILES

C[NH+](C)CN1C=C(C2=CC=CC=C21)CC(=O)N3CCCCCC3

InChI

InChI=1S/C19H27N3O/c1-20(2)15-22-14-16(17-9-5-6-10-18(17)22)13-19(23)21-11-7-3-4-8-12-21/h5-6,9-10,14H,3-4,7-8,11-13,15H2,1-2H3/p+1