2-[[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]azaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]azaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]ammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[(3S)-3-(4-chlorophenyl)-4-methylpentyl]ammonio]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-3-(4-chlorophenyl)-4-methylpentyl]azaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-3-(4-chlorophenyl)-4-methyl-pentyl]ammonio]ethyl-dimethyl-ammonium Formula: C16H29ClN2+2 MolecularWeight: 284.86786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27ClN2/c1-13(2)16(9-10-18-11-12-19(3)4)14-5-7-15(17)8-6-14/h5-8,13,16,18H,9-12H2,1-4H3/p+2/t16-/m0/s1