4-(azepan-1-ium-1-ylmethyl)-2-chloranyl-8-methoxy-quinoline

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-2-chloranyl-8-methoxy-quinoline Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-2-chloro-8-methoxy-quinoline CAS Name: 4-(1-azepan-1-iumylmethyl)-2-chloro-8-methoxyquinoline IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-2-chloro-8-methoxyquinoline Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-2-chloro-8-methoxy-quinoline Formula: C17H22ClN2O+ MolecularWeight: 305.82238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C(C=C2C[NH+]3CCCCCC3)Cl

Isomeric SMILES

COC1=CC=CC2=C1N=C(C=C2C[NH+]3CCCCCC3)Cl

InChI

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