(5S)-N,N-dimethyl-1-(phenylmethyl)-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: (5S)-N,N-dimethyl-1-(phenylmethyl)-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5S)-1-benzyl-N,N-dimethyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5S)-N,N-dimethyl-1-(phenylmethyl)-5-(1-piperidin-1-iumyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5S)-1-benzyl-N,N-dimethyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5S)-1-benzyl-N,N-dimethyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=NN(C2=C1CC(CC2)[NH+]3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)C1=NN(C2=C1C[C@H](CC2)[NH+]3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O/c1-24(2)22(27)21-19-15-18(25-13-7-4-8-14-25)11-12-20(19)26(23-21)16-17-9-5-3-6-10-17/h3,5-6,9-10,18H,4,7-8,11-16H2,1-2H3/p+1/t18-/m0/s1