ethyl 1-(3-methylbutyl)-5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate

Systemtic Name: ethyl 1-(3-methylbutyl)-5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate Openeye Name: ethyl 1-isopentyl-5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate CAS Name: 1-(3-methylbutyl)-5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylbutyl)-5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylate Traditional Name: 1-isoamyl-5-[(5-methyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ium-3-carboxylic acid ethyl ester Formula: C19H30N5O2+ MolecularWeight: 360.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1C[NH+](CC2)CC3=NC=C(N3)C)CCC(C)C

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1C[NH+](CC2)CC3=NC=C(N3)C)CCC(C)C

InChI

InChI=1S/C19H29N5O2/c1-5-26-19(25)18-15-11-23(12-17-20-10-14(4)21-17)8-7-16(15)24(22-18)9-6-13(2)3/h10,13H,5-9,11-12H2,1-4H3,(H,20,21)/p+1