3-[[5-chloranyl-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-chloranyl-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[5-chloro-2-(p-tolylmethoxy)phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[5-chloro-2-(4-methylbenzyl)oxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C20H29ClN2O+2 MolecularWeight: 348.91006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C[NH2+]CCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C[NH2+]CCC[NH+](C)C

InChI

InChI=1S/C20H27ClN2O/c1-16-5-7-17(8-6-16)15-24-20-10-9-19(21)13-18(20)14-22-11-4-12-23(2)3/h5-10,13,22H,4,11-12,14-15H2,1-3H3/p+2