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

Systemtic Name: [2-(azepan-1-yl)quinolin-1-ium-3-yl]methylazanium Openeye Name: [2-(azepan-1-yl)quinolin-1-ium-3-yl]methylammonium CAS Name: [2-(1-azepanyl)-3-quinolin-1-iumyl]methylammonium IUPAC Name: [2-(azepan-1-yl)quinolin-1-ium-3-yl]methylazanium Traditional Name: [2-(azepan-1-yl)quinolin-1-ium-3-yl]methylammonium Formula: C16H23N3+2 MolecularWeight: 257.37392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=[NH+]C3=CC=CC=C3C=C2C[NH3+]

Isomeric SMILES

C1CCCN(CC1)C2=[NH+]C3=CC=CC=C3C=C2C[NH3+]

InChI

InChI=1S/C16H21N3/c17-12-14-11-13-7-3-4-8-15(13)18-16(14)19-9-5-1-2-6-10-19/h3-4,7-8,11H,1-2,5-6,9-10,12,17H2/p+2