1-[1-(4-phenethylphenyl)propan-2-yl]-1,4,5,6-tetrahydropyrimidin-1-ium-2-amine chloride

Systemtic Name: 1-[1-(4-phenethylphenyl)propan-2-yl]-1,4,5,6-tetrahydropyrimidin-1-ium-2-amine chloride Openeye Name: 1-[1-methyl-2-(4-phenethylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-1-ium-2-amine chloride CAS Name: 1-[1-(4-phenethylphenyl)propan-2-yl]-1,4,5,6-tetrahydropyrimidin-1-ium-2-amine chloride IUPAC Name: 1-[1-(4-phenethylphenyl)propan-2-yl]-1,4,5,6-tetrahydropyrimidin-1-ium-2-amine chloride Traditional Name: [1-[1-methyl-2-(4-phenethylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-1-ium-2-yl]amine chloride Formula: C21H28ClN3 MolecularWeight: 357.92012

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)CCC2=CC=CC=C2)[NH+]3CCCN=C3N.[Cl-]

Isomeric SMILES

CC(CC1=CC=C(C=C1)CCC2=CC=CC=C2)[NH+]3CCCN=C3N.[Cl-]

InChI

InChI=1S/C21H27N3.ClH/c1-17(24-15-5-14-23-21(24)22)16-20-12-10-19(11-13-20)9-8-18-6-3-2-4-7-18;/h2-4,6-7,10-13,17H,5,8-9,14-16H2,1H3,(H2,22,23);1H