[6-(butylamino)pyridin-1-ium-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

Systemtic Name: [6-(butylamino)pyridin-1-ium-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone Openeye Name: [6-(butylamino)pyridin-1-ium-3-yl]-[4-(pyrazol-1-ylmethyl)-1-piperidyl]methanone CAS Name: [6-(butylamino)-3-pyridin-1-iumyl]-[4-(1-pyrazolylmethyl)-1-piperidinyl]methanone IUPAC Name: [6-(butylamino)pyridin-1-ium-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone Traditional Name: [6-(butylamino)pyridin-1-ium-3-yl]-[4-(pyrazol-1-ylmethyl)piperidino]methanone Formula: C19H28N5O+ MolecularWeight: 342.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)CN3C=CC=N3

Isomeric SMILES

CCCCNC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)CN3C=CC=N3

InChI

InChI=1S/C19H27N5O/c1-2-3-9-20-18-6-5-17(14-21-18)19(25)23-12-7-16(8-13-23)15-24-11-4-10-22-24/h4-6,10-11,14,16H,2-3,7-9,12-13,15H2,1H3,(H,20,21)/p+1