2-(azepan-1-yl)-4-methyl-quinolin-1-ium-3-amine

Systemtic Name: 2-(azepan-1-yl)-4-methyl-quinolin-1-ium-3-amine Openeye Name: 2-(azepan-1-yl)-4-methyl-quinolin-1-ium-3-amine CAS Name: 2-(1-azepanyl)-4-methyl-3-quinolin-1-iumamine IUPAC Name: 2-(azepan-1-yl)-4-methylquinolin-1-ium-3-amine Traditional Name: [2-(azepan-1-yl)-4-methyl-quinolin-1-ium-3-yl]amine Formula: C16H22N3+ MolecularWeight: 256.36598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C2=CC=CC=C12)N3CCCCCC3)N

Isomeric SMILES

CC1=C(C(=[NH+]C2=CC=CC=C12)N3CCCCCC3)N

InChI

InChI=1S/C16H21N3/c1-12-13-8-4-5-9-14(13)18-16(15(12)17)19-10-6-2-3-7-11-19/h4-5,8-9H,2-3,6-7,10-11,17H2,1H3/p+1