[3-[[diethyl(methyl)azaniumyl]methyl]-4-propan-2-yloxy-phenyl]methyl-diethyl-methyl-azanium

Systemtic Name: [3-[[diethyl(methyl)azaniumyl]methyl]-4-propan-2-yloxy-phenyl]methyl-diethyl-methyl-azanium Openeye Name: [3-[[diethyl(methyl)ammonio]methyl]-4-isopropoxy-phenyl]methyl-diethyl-methyl-ammonium CAS Name: [3-[[diethyl(methyl)ammonio]methyl]-4-propan-2-yloxyphenyl]methyl-diethyl-methylammonium IUPAC Name: [3-[[diethyl(methyl)azaniumyl]methyl]-4-propan-2-yloxyphenyl]methyl-diethyl-methylazanium Traditional Name: [3-[[diethyl(methyl)ammonio]methyl]-4-isopropoxy-benzyl]-diethyl-methyl-ammonium Formula: C21H40N2O+2 MolecularWeight: 336.5551

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC1=CC(=C(C=C1)OC(C)C)C[N+](C)(CC)CC

Isomeric SMILES

CC[N+](C)(CC)CC1=CC(=C(C=C1)OC(C)C)C[N+](C)(CC)CC

InChI

InChI=1S/C21H40N2O/c1-9-22(7,10-2)16-19-13-14-21(24-18(5)6)20(15-19)17-23(8,11-3)12-4/h13-15,18H,9-12,16-17H2,1-8H3/q+2