2-(5-azanyl-3-methyl-pyrazol-1-yl)-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(5-azanyl-3-methyl-pyrazol-1-yl)-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(5-amino-3-methyl-pyrazol-1-yl)-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]acetamide CAS Name: 2-(5-amino-3-methyl-1-pyrazolyl)-N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(5-amino-3-methylpyrazol-1-yl)-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(5-amino-3-methyl-pyrazol-1-yl)-N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]acetamide Formula: C18H25ClN5O+ MolecularWeight: 362.877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)N)CC(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C(=C1)N)CC(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H24ClN5O/c1-13-9-17(20)24(22-13)12-18(25)21-16-3-2-8-23(11-16)10-14-4-6-15(19)7-5-14/h4-7,9,16H,2-3,8,10-12,20H2,1H3,(H,21,25)/p+1/t16-/m0/s1