3-(azepan-1-ium-1-ylmethyl)-2,5,7-trimethyl-1H-quinolin-4-one

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-2,5,7-trimethyl-1H-quinolin-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-2,5,7-trimethyl-1H-quinolin-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-2,5,7-trimethyl-1H-quinolin-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-2,5,7-trimethyl-1H-quinolin-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-2,5,7-trimethyl-4-quinolone Formula: C19H27N2O+ MolecularWeight: 299.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C(C2=O)C[NH+]3CCCCCC3)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C(C2=O)C[NH+]3CCCCCC3)C)C

InChI

InChI=1S/C19H26N2O/c1-13-10-14(2)18-17(11-13)20-15(3)16(19(18)22)12-21-8-6-4-5-7-9-21/h10-11H,4-9,12H2,1-3H3,(H,20,22)/p+1