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

Systemtic Name: (5S)-N-methyl-5-(4-methylpiperidin-1-ium-1-yl)-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5S)-N-methyl-5-(4-methylpiperidin-1-ium-1-yl)-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5S)-N-methyl-5-(4-methyl-1-piperidin-1-iumyl)-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5S)-N-methyl-5-(4-methylpiperidin-1-ium-1-yl)-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5S)-N-methyl-5-(4-methylpiperidin-1-ium-1-yl)-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2CCC3=C(C2)C(=NN3CCC4=CC=CC=C4)C(=O)NC

Isomeric SMILES

CC1CC[NH+](CC1)[C@H]2CCC3=C(C2)C(=NN3CCC4=CC=CC=C4)C(=O)NC

InChI

InChI=1S/C23H32N4O/c1-17-10-13-26(14-11-17)19-8-9-21-20(16-19)22(23(28)24-2)25-27(21)15-12-18-6-4-3-5-7-18/h3-7,17,19H,8-16H2,1-2H3,(H,24,28)/p+1/t19-/m0/s1