N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: 3-[(3R)-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propanamide CAS Name: N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-3-[(3R)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-3-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: 3-[(3R)-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)propionamide Formula: C22H41N5O+2 MolecularWeight: 391.59384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCCC(C2)CCC(=O)N(C)C3CC[NH+](CC3)C

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC[C@@H](C2)CCC(=O)N(C)C3CC[NH+](CC3)C

InChI

InChI=1S/C22H39N5O/c1-18(2)27-17-20(14-23-27)16-26-11-5-6-19(15-26)7-8-22(28)25(4)21-9-12-24(3)13-10-21/h14,17-19,21H,5-13,15-16H2,1-4H3/p+2/t19-/m1/s1