2-[[(3R)-3-(4-chlorophenyl)-6-methyl-heptyl]azaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-3-(4-chlorophenyl)-6-methyl-heptyl]azaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-3-(4-chlorophenyl)-6-methyl-heptyl]ammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-3-(4-chlorophenyl)-6-methylheptyl]ammonio]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-3-(4-chlorophenyl)-6-methylheptyl]azaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[(3R)-3-(4-chlorophenyl)-6-methyl-heptyl]ammonio]ethyl-dimethyl-ammonium Formula: C18H33ClN2+2 MolecularWeight: 312.92102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31ClN2/c1-15(2)5-6-17(11-12-20-13-14-21(3)4)16-7-9-18(19)10-8-16/h7-10,15,17,20H,5-6,11-14H2,1-4H3/p+2/t17-/m1/s1