2-(3,4-dimethoxyphenyl)ethyl-[(3S)-3-(furan-2-yl)-4-methyl-pentyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-3-(furan-2-yl)-4-methyl-pentyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-3-(2-furyl)-4-methyl-pentyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-3-(2-furanyl)-4-methylpentyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-3-(furan-2-yl)-4-methylpentyl]azanium Traditional Name: [(3S)-3-(2-furyl)-4-methyl-pentyl]-homoveratryl-ammonium Formula: C20H30NO3+ MolecularWeight: 332.4571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC[NH2+]CCC1=CC(=C(C=C1)OC)OC)C2=CC=CO2

Isomeric SMILES

CC(C)[C@H](CC[NH2+]CCC1=CC(=C(C=C1)OC)OC)C2=CC=CO2

InChI

InChI=1S/C20H29NO3/c1-15(2)17(18-6-5-13-24-18)10-12-21-11-9-16-7-8-19(22-3)20(14-16)23-4/h5-8,13-15,17,21H,9-12H2,1-4H3/p+1/t17-/m0/s1