[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]methyl N-(4-pyridin-1-ium-1-ylbutyl)carbamate

Systemtic Name: [5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]methyl N-(4-pyridin-1-ium-1-ylbutyl)carbamate Openeye Name: [5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]methyl N-(4-pyridin-1-ium-1-ylbutyl)carbamate CAS Name: N-[4-(1-pyridin-1-iumyl)butyl]carbamic acid [5-(3,4,5-trimethoxyphenyl)-2-oxolanyl]methyl ester IUPAC Name: [5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]methyl N-(4-pyridin-1-ium-1-ylbutyl)carbamate Traditional Name: N-(4-pyridin-1-ium-1-ylbutyl)carbamic acid [5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]methyl ester Formula: C24H33N2O6+ MolecularWeight: 445.52862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CCC(O2)COC(=O)NCCCC[N+]3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CCC(O2)COC(=O)NCCCC[N+]3=CC=CC=C3

InChI

InChI=1S/C24H32N2O6/c1-28-21-15-18(16-22(29-2)23(21)30-3)20-10-9-19(32-20)17-31-24(27)25-11-5-8-14-26-12-6-4-7-13-26/h4,6-7,12-13,15-16,19-20H,5,8-11,14,17H2,1-3H3/p+1