1-(2-chloroethyl)azepane; 1-(2-chloroethyl)azepan-1-ium; chloride

Systemtic Name: 1-(2-chloroethyl)azepane; 1-(2-chloroethyl)azepan-1-ium; chloride Openeye Name: 1-(2-chloroethyl)azepane; 1-(2-chloroethyl)azepan-1-ium; chloride CAS Name: 1-(2-chloroethyl)azepane; 1-(2-chloroethyl)azepan-1-ium; chloride IUPAC Name: 1-(2-chloroethyl)azepane; 1-(2-chloroethyl)azepan-1-ium; chloride Traditional Name: 1-(2-chloroethyl)azepane; 1-(2-chloroethyl)azepan-1-ium; chloride Formula: C16H33Cl3N2 MolecularWeight: 359.80562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCl.C1CCCN(CC1)CCCl.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)CCCl.C1CCCN(CC1)CCCl.[Cl-]

InChI

InChI=1S/2C8H16ClN.ClH/c2*9-5-8-10-6-3-1-2-4-7-10;/h2*1-8H2;1H