2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(furan-3-ylmethyl)piperidin-3-yl]-methyl-azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(furan-3-ylmethyl)piperidin-3-yl]-methyl-azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(3-furylmethyl)-3-piperidyl]-methyl-ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(3-furanylmethyl)-3-piperidinyl]-methylammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(3S)-1-(furan-3-ylmethyl)piperidin-3-yl]-methylazanium Traditional Name: [(3S)-1-(3-furfuryl)-3-piperidyl]-homoveratryl-methyl-ammonium Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)CC3=COC=C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)CC3=COC=C3

InChI

InChI=1S/C21H30N2O3/c1-22(11-8-17-6-7-20(24-2)21(13-17)25-3)19-5-4-10-23(15-19)14-18-9-12-26-16-18/h6-7,9,12-13,16,19H,4-5,8,10-11,14-15H2,1-3H3/p+1/t19-/m0/s1