(4-dimethylaminophenyl)methyl-[2-(dimethylazaniumyl)ethyl]-(phenylmethyl)azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[2-(dimethylazaniumyl)ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(4-dimethylaminophenyl)methyl]-[2-(dimethylammonio)ethyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[2-(dimethylammonio)ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4-dimethylaminophenyl)methyl]-[2-(dimethylazaniumyl)ethyl]azanium Traditional Name: benzyl-[4-(dimethylamino)benzyl]-[2-(dimethylammonio)ethyl]ammonium Formula: C20H31N3+2 MolecularWeight: 313.48024

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

C[NH+](C)CC[NH+](CC1=CC=CC=C1)CC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C20H29N3/c1-21(2)14-15-23(16-18-8-6-5-7-9-18)17-19-10-12-20(13-11-19)22(3)4/h5-13H,14-17H2,1-4H3/p+2