(3S)-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: (1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl-[(3S)-1-m-anisylpiperidin-1-ium-3-yl]amine Formula: C21H33N4O+ MolecularWeight: 357.51292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CNC2CCC[NH+](C2)CC3=CC(=CC=C3)OC)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CN[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C21H32N4O/c1-5-25-17(3)21(16(2)23-25)13-22-19-9-7-11-24(15-19)14-18-8-6-10-20(12-18)26-4/h6,8,10,12,19,22H,5,7,9,11,13-15H2,1-4H3/p+1/t19-/m0/s1