(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-amine Traditional Name: homoveratryl-methyl-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]amine Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C2CCC[NH+](C2)CCCN3C=CC=N3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCC[NH+](C2)CCCN3C=CC=N3

InChI

InChI=1S/C22H34N4O2/c1-24(16-10-19-8-9-21(27-2)22(17-19)28-3)20-7-4-12-25(18-20)13-6-15-26-14-5-11-23-26/h5,8-9,11,14,17,20H,4,6-7,10,12-13,15-16,18H2,1-3H3/p+1/t20-/m0/s1