N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-(pyrazol-1-ylmethyl)benzamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-(pyrazol-1-ylmethyl)benzamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-(pyrazol-1-ylmethyl)benzamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-3-(1-pyrazolylmethyl)benzamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-(pyrazol-1-ylmethyl)benzamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-(pyrazol-1-ylmethyl)benzamide Formula: C22H33N5O+2 MolecularWeight: 383.53032

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=CC(=CC=C3)CN4C=CC=N4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=CC(=CC=C3)CN4C=CC=N4

InChI

InChI=1S/C22H31N5O/c1-25-13-8-21(9-14-25)26-11-3-7-20(17-26)24-22(28)19-6-2-5-18(15-19)16-27-12-4-10-23-27/h2,4-6,10,12,15,20-21H,3,7-9,11,13-14,16-17H2,1H3,(H,24,28)/p+2/t20-/m0/s1