N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide

Systemtic Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide Openeye Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide CAS Name: N-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-3-(3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide Traditional Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-3-(3-methylpyrazol-1-yl)propionamide Formula: C20H30N5O+ MolecularWeight: 356.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)NCC2=C([NH+]=CC=C2)N3CCCCCCC3

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)NCC2=C([NH+]=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C20H29N5O/c1-17-9-14-25(23-17)15-10-19(26)22-16-18-8-7-11-21-20(18)24-12-5-3-2-4-6-13-24/h7-9,11,14H,2-6,10,12-13,15-16H2,1H3,(H,22,26)/p+1