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

Systemtic Name: 4-(azepan-1-ium-1-ylmethyl)-2-chloranyl-quinoline Openeye Name: 4-(azepan-1-ium-1-ylmethyl)-2-chloro-quinoline CAS Name: 4-(1-azepan-1-iumylmethyl)-2-chloroquinoline IUPAC Name: 4-(azepan-1-ium-1-ylmethyl)-2-chloroquinoline Traditional Name: 4-(azepan-1-ium-1-ylmethyl)-2-chloro-quinoline Formula: C16H20ClN2+ MolecularWeight: 275.7964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC(=NC3=CC=CC=C32)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC(=NC3=CC=CC=C32)Cl

InChI

InChI=1S/C16H19ClN2/c17-16-11-13(12-19-9-5-1-2-6-10-19)14-7-3-4-8-15(14)18-16/h3-4,7-8,11H,1-2,5-6,9-10,12H2/p+1