N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyrazol-1-yl-benzamide

Systemtic Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyrazol-1-yl-benzamide Openeye Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyrazol-1-yl-benzamide CAS Name: N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-(1-pyrazolyl)benzamide IUPAC Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyrazol-1-ylbenzamide Traditional Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-2-pyrazol-1-yl-benzamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3N4C=CC=N4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3N4C=CC=N4

InChI

InChI=1S/C24H28N4O/c1-26(24(29)22-12-5-6-13-23(22)28-17-8-15-25-28)21-11-7-16-27(19-21)18-14-20-9-3-2-4-10-20/h2-6,8-10,12-13,15,17,21H,7,11,14,16,18-19H2,1H3/p+1/t21-/m0/s1