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

Systemtic Name: (5R)-5-(4-methanoylpiperazin-1-ium-1-yl)-1-methyl-N-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5R)-5-(4-formylpiperazin-1-ium-1-yl)-1-methyl-N-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5R)-5-(4-formyl-1-piperazin-1-iumyl)-1-methyl-N-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5R)-5-(4-formylpiperazin-1-ium-1-yl)-1-methyl-N-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5R)-5-(4-formylpiperazin-1-ium-1-yl)-1-methyl-N-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+]3CCN(CC3)C=O)C(=N1)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH+]3CCN(CC3)C=O)C(=N1)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2/c1-25-20-8-7-18(27-13-11-26(16-28)12-14-27)15-19(20)21(24-25)22(29)23-10-9-17-5-3-2-4-6-17/h2-6,16,18H,7-15H2,1H3,(H,23,29)/p+1/t18-/m1/s1