N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-(1-methylpyrazol-4-yl)propanamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-(1-methylpyrazol-4-yl)propanamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-(1-methylpyrazol-4-yl)propanamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-3-(1-methyl-4-pyrazolyl)propanamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-3-(1-methylpyrazol-4-yl)propanamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-3-(1-methylpyrazol-4-yl)propionamide Formula: C19H26ClN4O+ MolecularWeight: 361.88894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CCC(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=C(C=N1)CCC(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H25ClN4O/c1-23-12-16(11-21-23)6-9-19(25)22-18-3-2-10-24(14-18)13-15-4-7-17(20)8-5-15/h4-5,7-8,11-12,18H,2-3,6,9-10,13-14H2,1H3,(H,22,25)/p+1/t18-/m0/s1