N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-(1H-pyrazol-4-yl)propanamide

Systemtic Name: N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-(1H-pyrazol-4-yl)propanamide Openeye Name: N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-(1H-pyrazol-4-yl)propanamide CAS Name: N-[(3R)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-3-(1H-pyrazol-4-yl)propanamide IUPAC Name: N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-(1H-pyrazol-4-yl)propanamide Traditional Name: N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-(1H-pyrazol-4-yl)propionamide Formula: C17H31N5O+2 MolecularWeight: 321.46094

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)CCC3=CNN=C3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@H](C2)NC(=O)CCC3=CNN=C3

InChI

InChI=1S/C17H29N5O/c1-21-9-6-16(7-10-21)22-8-2-3-15(13-22)20-17(23)5-4-14-11-18-19-12-14/h11-12,15-16H,2-10,13H2,1H3,(H,18,19)(H,20,23)/p+2/t15-/m1/s1