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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-3-piperidyl]ammonium Formula: C24H39N4O2+ MolecularWeight: 415.59206

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)CN2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCN1C=C(C(=N1)C)CN2CCC[C@@H](C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H38N4O2/c1-6-12-28-17-21(19(2)25-28)16-27-13-7-8-22(18-27)26(3)14-11-20-9-10-23(29-4)24(15-20)30-5/h9-10,15,17,22H,6-8,11-14,16,18H2,1-5H3/p+1/t22-/m0/s1