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

Systemtic Name: (5S)-5-(4-aminocarbonylpiperidin-1-ium-1-yl)-N-ethyl-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5S)-1-benzyl-5-(4-carbamoylpiperidin-1-ium-1-yl)-N-ethyl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5S)-5-(4-carbamoyl-1-piperidin-1-iumyl)-N-ethyl-1-(phenylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5S)-1-benzyl-5-(4-carbamoylpiperidin-1-ium-1-yl)-N-ethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5S)-1-benzyl-5-(4-carbamoylpiperidin-1-ium-1-yl)-N-ethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=NN(C2=C1CC(CC2)[NH+]3CCC(CC3)C(=O)N)CC4=CC=CC=C4

Isomeric SMILES

CCNC(=O)C1=NN(C2=C1C[C@H](CC2)[NH+]3CCC(CC3)C(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N5O2/c1-2-25-23(30)21-19-14-18(27-12-10-17(11-13-27)22(24)29)8-9-20(19)28(26-21)15-16-6-4-3-5-7-16/h3-7,17-18H,2,8-15H2,1H3,(H2,24,29)(H,25,30)/p+1/t18-/m0/s1