2-(azepan-1-ium-1-yl)-N-[2-(dimethylamino)quinolin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[2-(dimethylamino)quinolin-1-ium-4-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[2-(dimethylamino)quinolin-1-ium-4-yl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[2-(dimethylamino)-4-quinolin-1-iumyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[2-(dimethylamino)quinolin-1-ium-4-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[2-(dimethylamino)quinolin-1-ium-4-yl]acetamide Formula: C19H28N4O+2 MolecularWeight: 328.45182

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=[NH+]C2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CN(C)C1=[NH+]C2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C19H26N4O/c1-22(2)18-13-17(15-9-5-6-10-16(15)20-18)21-19(24)14-23-11-7-3-4-8-12-23/h5-6,9-10,13H,3-4,7-8,11-12,14H2,1-2H3,(H,20,21,24)/p+2