3-(dimethylazaniumyl)propyl-[(3,4-dimethylphenyl)methyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: 3-(dimethylazaniumyl)propyl-[(3,4-dimethylphenyl)methyl]-(pyridin-2-ylmethyl)azanium Openeye Name: 3-(dimethylammonio)propyl-[(3,4-dimethylphenyl)methyl]-(2-pyridylmethyl)ammonium CAS Name: 3-(dimethylammonio)propyl-[(3,4-dimethylphenyl)methyl]-(2-pyridinylmethyl)ammonium IUPAC Name: 3-(dimethylazaniumyl)propyl-[(3,4-dimethylphenyl)methyl]-(pyridin-2-ylmethyl)azanium Traditional Name: 3-(dimethylammonio)propyl-(3,4-dimethylbenzyl)-(2-pyridylmethyl)ammonium Formula: C20H31N3+2 MolecularWeight: 313.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[NH+](CCC[NH+](C)C)CC2=CC=CC=N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[NH+](CCC[NH+](C)C)CC2=CC=CC=N2)C

InChI

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