N,N-bis(2-chloroethyl)-3-phenyl-prop-2-yn-1-amine hydrochloride

Systemtic Name: N,N-bis(2-chloroethyl)-3-phenyl-prop-2-yn-1-amine hydrochloride Openeye Name: N,N-bis(2-chloroethyl)-3-phenyl-prop-2-yn-1-amine hydrochloride CAS Name: N,N-bis(2-chloroethyl)-3-phenyl-2-propyn-1-amine hydrochloride IUPAC Name: N,N-bis(2-chloroethyl)-3-phenylprop-2-yn-1-amine hydrochloride Traditional Name: bis(2-chloroethyl)-(3-phenylprop-2-ynyl)amine hydrochloride Formula: C13H16Cl3N MolecularWeight: 292.63184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCN(CCCl)CCCl.Cl

Isomeric SMILES

C1=CC=C(C=C1)C#CCN(CCCl)CCCl.Cl

InChI

InChI=1S/C13H15Cl2N.ClH/c14-8-11-16(12-9-15)10-4-7-13-5-2-1-3-6-13;/h1-3,5-6H,8-12H2;1H