(3,4-dimethoxyphenyl)-[(3S)-1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[(3S)-1-[[2-methyl-4-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-(2-methyl-4-pyrazol-1-yl-benzyl)piperidin-1-ium-3-yl]methanone Formula: C25H30N3O3+ MolecularWeight: 420.524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCCC(C3)C(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCC[C@@H](C3)C(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H29N3O3/c1-18-14-22(28-13-5-11-26-28)9-7-20(18)16-27-12-4-6-21(17-27)25(29)19-8-10-23(30-2)24(15-19)31-3/h5,7-11,13-15,21H,4,6,12,16-17H2,1-3H3/p+1/t21-/m0/s1