[2-(azepan-1-yl)-6-methyl-quinolin-1-ium-3-yl]methylazanium

Systemtic Name: [2-(azepan-1-yl)-6-methyl-quinolin-1-ium-3-yl]methylazanium Openeye Name: [2-(azepan-1-yl)-6-methyl-quinolin-1-ium-3-yl]methylammonium CAS Name: [2-(1-azepanyl)-6-methyl-3-quinolin-1-iumyl]methylammonium IUPAC Name: [2-(azepan-1-yl)-6-methylquinolin-1-ium-3-yl]methylazanium Traditional Name: [2-(azepan-1-yl)-6-methyl-quinolin-1-ium-3-yl]methylammonium Formula: C17H25N3+2 MolecularWeight: 271.4005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCCCCC3)C[NH3+]

Isomeric SMILES

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CCCCCC3)C[NH3+]

InChI

InChI=1S/C17H23N3/c1-13-6-7-16-14(10-13)11-15(12-18)17(19-16)20-8-4-2-3-5-9-20/h6-7,10-11H,2-5,8-9,12,18H2,1H3/p+2