3-[[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-3-(4-chlorophenyl)-4-methylpentyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-3-(4-chlorophenyl)-4-methylpentyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]ammonio]propyl-dimethyl-ammonium Formula: C17H31ClN2+2 MolecularWeight: 298.89444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC[NH2+]CCC[NH+](C)C)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)[C@H](CC[NH2+]CCC[NH+](C)C)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C17H29ClN2/c1-14(2)17(15-6-8-16(18)9-7-15)10-12-19-11-5-13-20(3)4/h6-9,14,17,19H,5,10-13H2,1-4H3/p+2/t17-/m0/s1