4-(azepan-1-ium-1-yl)-1-phenyl-butan-1-amine chloride

Systemtic Name: 4-(azepan-1-ium-1-yl)-1-phenyl-butan-1-amine chloride Openeye Name: 4-(azepan-1-ium-1-yl)-1-phenyl-butan-1-amine chloride CAS Name: 4-(1-azepan-1-iumyl)-1-phenyl-1-butanamine chloride IUPAC Name: 4-(azepan-1-ium-1-yl)-1-phenylbutan-1-amine chloride Traditional Name: [4-(azepan-1-ium-1-yl)-1-phenyl-butyl]amine chloride Formula: C16H27ClN2 MolecularWeight: 282.85198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCC(C2=CC=CC=C2)N.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CCCC(C2=CC=CC=C2)N.[Cl-]

InChI

InChI=1S/C16H26N2.ClH/c17-16(15-9-4-3-5-10-15)11-8-14-18-12-6-1-2-7-13-18;/h3-5,9-10,16H,1-2,6-8,11-14,17H2;1H