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

Systemtic Name: [2-(azepan-1-yl)-6-ethyl-quinolin-1-ium-3-yl]methylazanium Openeye Name: [2-(azepan-1-yl)-6-ethyl-quinolin-1-ium-3-yl]methylammonium CAS Name: [2-(1-azepanyl)-6-ethyl-3-quinolin-1-iumyl]methylammonium IUPAC Name: [2-(azepan-1-yl)-6-ethylquinolin-1-ium-3-yl]methylazanium Traditional Name: [2-(azepan-1-yl)-6-ethyl-quinolin-1-ium-3-yl]methylammonium Formula: C18H27N3+2 MolecularWeight: 285.42708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC(=C([NH+]=C2C=C1)N3CCCCCC3)C[NH3+]

Isomeric SMILES

CCC1=CC2=CC(=C([NH+]=C2C=C1)N3CCCCCC3)C[NH3+]

InChI

InChI=1S/C18H25N3/c1-2-14-7-8-17-15(11-14)12-16(13-19)18(20-17)21-9-5-3-4-6-10-21/h7-8,11-12H,2-6,9-10,13,19H2,1H3/p+2