2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-[(5-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)CN2CCCC(C2)[NH+](C)CCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

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

InChI

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