dimethyl-[3-[(4-propan-2-ylphenyl)methyl-(pyridin-2-ylmethyl)azaniumyl]propyl]azanium

Systemtic Name: dimethyl-[3-[(4-propan-2-ylphenyl)methyl-(pyridin-2-ylmethyl)azaniumyl]propyl]azanium Openeye Name: 3-(dimethylammonio)propyl-[(4-isopropylphenyl)methyl]-(2-pyridylmethyl)ammonium CAS Name: dimethyl-[3-[(4-propan-2-ylphenyl)methyl-(2-pyridinylmethyl)ammonio]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-propan-2-ylphenyl)methyl-(pyridin-2-ylmethyl)azaniumyl]propyl]azanium Traditional Name: 3-(dimethylammonio)propyl-(4-isopropylbenzyl)-(2-pyridylmethyl)ammonium Formula: C21H33N3+2 MolecularWeight: 327.50682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3/c1-18(2)20-11-9-19(10-12-20)16-24(15-7-14-23(3)4)17-21-8-5-6-13-22-21/h5-6,8-13,18H,7,14-17H2,1-4H3/p+2