N-[[2-(azepan-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-2-methyl-propanamide

Systemtic Name: N-[[2-(azepan-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-2-methyl-propanamide Openeye Name: N-[[2-(azepan-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-2-methyl-propanamide CAS Name: N-[[2-(1-azepanyl)-7-methyl-3-quinolin-1-iumyl]methyl]-N-(3-methoxypropyl)-2-methylpropanamide IUPAC Name: N-[[2-(azepan-1-yl)-7-methylquinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-2-methylpropanamide Traditional Name: N-[[2-(azepan-1-yl)-7-methyl-quinolin-1-ium-3-yl]methyl]-N-(3-methoxypropyl)-2-methyl-propionamide Formula: C25H38N3O2+ MolecularWeight: 412.58812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCCOC)C(=O)C(C)C)N3CCCCCC3

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCCOC)C(=O)C(C)C)N3CCCCCC3

InChI

InChI=1S/C25H37N3O2/c1-19(2)25(29)28(14-9-15-30-4)18-22-17-21-11-10-20(3)16-23(21)26-24(22)27-12-7-5-6-8-13-27/h10-11,16-17,19H,5-9,12-15,18H2,1-4H3/p+1