2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-methylfuran-3-yl)carbonylpiperidin-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-methylfuran-3-yl)carbonylpiperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-methylfuran-3-carbonyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(2-methyl-3-furanyl)-oxomethyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(2-methyl-3-furoyl)-3-piperidyl]ammonium Formula: C22H31N2O4+ MolecularWeight: 387.49254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H30N2O4/c1-16-19(10-13-28-16)22(25)24-11-5-6-18(15-24)23(2)12-9-17-7-8-20(26-3)21(14-17)27-4/h7-8,10,13-14,18H,5-6,9,11-12,15H2,1-4H3/p+1/t18-/m0/s1