3-(azepan-1-ium-1-ylmethyl)-6-butoxy-2-methyl-1H-quinolin-4-one

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-6-butoxy-2-methyl-1H-quinolin-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-6-butoxy-2-methyl-1H-quinolin-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-6-butoxy-2-methyl-1H-quinolin-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-6-butoxy-2-methyl-1H-quinolin-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-6-butoxy-2-methyl-4-quinolone Formula: C21H31N2O2+ MolecularWeight: 343.48304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCCC3)C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C21H30N2O2/c1-3-4-13-25-17-9-10-20-18(14-17)21(24)19(16(2)22-20)15-23-11-7-5-6-8-12-23/h9-10,14H,3-8,11-13,15H2,1-2H3,(H,22,24)/p+1