N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide

Systemtic Name: N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide Openeye Name: N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide CAS Name: N-methyl-3-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-[[2-(1-pyrazolyl)phenyl]methyl]propanamide IUPAC Name: N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide Traditional Name: N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(2-pyrazol-1-ylbenzyl)propionamide Formula: C20H29N4O+ MolecularWeight: 341.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)N(C)CC2=CC=CC=C2N3C=CC=N3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)N(C)CC2=CC=CC=C2N3C=CC=N3

InChI

InChI=1S/C20H28N4O/c1-17-7-5-12-23(15-17)14-10-20(25)22(2)16-18-8-3-4-9-19(18)24-13-6-11-21-24/h3-4,6,8-9,11,13,17H,5,7,10,12,14-16H2,1-2H3/p+1/t17-/m0/s1