(3S)-N-(3,4-dimethoxyphenyl)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3,4-dimethoxyphenyl)-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C24H31N4O2+ MolecularWeight: 407.52854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCCC(C3)NC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)NC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H30N4O2/c1-27-15-19(24(26-27)18-8-5-4-6-9-18)16-28-13-7-10-21(17-28)25-20-11-12-22(29-2)23(14-20)30-3/h4-6,8-9,11-12,14-15,21,25H,7,10,13,16-17H2,1-3H3/p+1/t21-/m0/s1