N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide

Systemtic Name: N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide Openeye Name: N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide CAS Name: N-methyl-3-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-[[4-(1-pyrazolyl)phenyl]methyl]propanamide IUPAC Name: N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide Traditional Name: N-methyl-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-pyrazol-1-ylbenzyl)propionamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)N(C)CC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)N(C)CC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H28N4O/c1-17-5-3-12-23(15-17)14-10-20(25)22(2)16-18-6-8-19(9-7-18)24-13-4-11-21-24/h4,6-9,11,13,17H,3,5,10,12,14-16H2,1-2H3/p+1/t17-/m0/s1