3-(1-methylpyrrol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1-methylpyrrol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide Openeye Name: 3-(1-methylpyrrol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide CAS Name: 3-(1-methyl-2-pyrrolyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1-methylpyrrol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide Traditional Name: 3-(1-methylpyrrol-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrazole-5-carboxamide Formula: C22H28N5O+ MolecularWeight: 378.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NNC(=C2)C(=O)NC3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1C2=NNC(=C2)C(=O)N[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O/c1-26-12-6-10-21(26)19-15-20(25-24-19)22(28)23-18-9-5-13-27(16-18)14-11-17-7-3-2-4-8-17/h2-4,6-8,10,12,15,18H,5,9,11,13-14,16H2,1H3,(H,23,28)(H,24,25)/p+1/t18-/m0/s1