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

Systemtic Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyrazol-1-yl-benzamide Openeye Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyrazol-1-yl-benzamide CAS Name: N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-(1-pyrazolyl)benzamide IUPAC Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyrazol-1-ylbenzamide Traditional Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-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=C3)N4C=CC=N4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C24H28N4O/c1-26(24(29)21-10-5-11-22(18-21)28-16-7-14-25-28)23-12-6-15-27(19-23)17-13-20-8-3-2-4-9-20/h2-5,7-11,14,16,18,23H,6,12-13,15,17,19H2,1H3/p+1/t23-/m0/s1