3-(azepan-1-ium-1-ylmethyl)-2-chloranyl-7-methyl-quinoline

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-2-chloranyl-7-methyl-quinoline Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-2-chloro-7-methyl-quinoline CAS Name: 3-(1-azepan-1-iumylmethyl)-2-chloro-7-methylquinoline IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-2-chloro-7-methylquinoline Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-2-chloro-7-methyl-quinoline Formula: C17H22ClN2+ MolecularWeight: 289.82298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCCCCC3)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C[NH+]3CCCCCC3)Cl

InChI

InChI=1S/C17H21ClN2/c1-13-6-7-14-11-15(17(18)19-16(14)10-13)12-20-8-4-2-3-5-9-20/h6-7,10-11H,2-5,8-9,12H2,1H3/p+1