(3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1-methyl-4-piperidin-1-iumyl)-N-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Formula: C18H33N5O+2 MolecularWeight: 335.48752

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCCCN3C=CC=N3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCCCN3C=CC=N3

InChI

InChI=1S/C18H31N5O/c1-21-13-6-17(7-14-21)22-10-2-5-16(15-22)18(24)19-8-3-11-23-12-4-9-20-23/h4,9,12,16-17H,2-3,5-8,10-11,13-15H2,1H3,(H,19,24)/p+2/t16-/m0/s1