(5S)-1-methyl-5-(4-methylpiperidin-1-ium-1-yl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: (5S)-1-methyl-5-(4-methylpiperidin-1-ium-1-yl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5S)-1-methyl-5-(4-methylpiperidin-1-ium-1-yl)-N-(4-pyridylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5S)-1-methyl-5-(4-methyl-1-piperidin-1-iumyl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5S)-1-methyl-5-(4-methylpiperidin-1-ium-1-yl)-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5S)-1-methyl-5-(4-methylpiperidin-1-ium-1-yl)-N-(4-pyridylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2CCC3=C(C2)C(=NN3C)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H]2CCC3=C(C2)C(=NN3C)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C21H29N5O/c1-15-7-11-26(12-8-15)17-3-4-19-18(13-17)20(24-25(19)2)21(27)23-14-16-5-9-22-10-6-16/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3,(H,23,27)/p+1/t17-/m0/s1