[3-[4-(azepan-1-yl)-4-oxidanylidene-butyl]indol-1-yl]methyl-dimethyl-azanium

Systemtic Name: [3-[4-(azepan-1-yl)-4-oxidanylidene-butyl]indol-1-yl]methyl-dimethyl-azanium Openeye Name: [3-[4-(azepan-1-yl)-4-oxo-butyl]indol-1-yl]methyl-dimethyl-ammonium CAS Name: [3-[4-(1-azepanyl)-4-oxobutyl]-1-indolyl]methyl-dimethylammonium IUPAC Name: [3-[4-(azepan-1-yl)-4-oxobutyl]indol-1-yl]methyl-dimethylazanium Traditional Name: [3-[4-(azepan-1-yl)-4-keto-butyl]indol-1-yl]methyl-dimethyl-ammonium Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O/c1-22(2)17-24-16-18(19-11-5-6-12-20(19)24)10-9-13-21(25)23-14-7-3-4-8-15-23/h5-6,11-12,16H,3-4,7-10,13-15,17H2,1-2H3/p+1