3-(azepan-1-ium-1-ylmethyl)-8-chloranyl-2-methyl-1H-quinolin-4-one

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-8-chloranyl-2-methyl-1H-quinolin-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-8-chloro-2-methyl-1H-quinolin-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-8-chloro-2-methyl-1H-quinolin-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-8-chloro-2-methyl-1H-quinolin-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-8-chloro-2-methyl-4-quinolone Formula: C17H22ClN2O+ MolecularWeight: 305.82238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C(=CC=C2)Cl)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C(=CC=C2)Cl)C[NH+]3CCCCCC3

InChI

InChI=1S/C17H21ClN2O/c1-12-14(11-20-9-4-2-3-5-10-20)17(21)13-7-6-8-15(18)16(13)19-12/h6-8H,2-5,9-11H2,1H3,(H,19,21)/p+1