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

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-pyrazol-1-yl-benzamide Openeye Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-pyrazol-1-yl-benzamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-2-(1-pyrazolyl)benzamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-pyrazol-1-ylbenzamide Traditional Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-pyrazol-1-yl-benzamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC=CC=C3N4C=CC=N4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC=CC=C3N4C=CC=N4

InChI

InChI=1S/C25H30N4O/c1-27(25(30)23-14-5-6-15-24(23)29-19-9-16-26-29)22-13-8-18-28(20-22)17-7-12-21-10-3-2-4-11-21/h2-6,9-11,14-16,19,22H,7-8,12-13,17-18,20H2,1H3/p+1/t22-/m0/s1