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

Systemtic Name: (5S)-N-methyl-1-phenethyl-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5S)-N-methyl-1-phenethyl-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5S)-N-methyl-1-phenethyl-5-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5S)-N-methyl-1-phenethyl-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5S)-N-methyl-1-phenethyl-5-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C27H41N5O+2 MolecularWeight: 451.64734

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C2=C1CC(CC2)[NH+]3CCC(CC3)[NH+]4CCCCC4)CCC5=CC=CC=C5

Isomeric SMILES

CNC(=O)C1=NN(C2=C1C[C@H](CC2)[NH+]3CCC(CC3)[NH+]4CCCCC4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H39N5O/c1-28-27(33)26-24-20-23(31-17-13-22(14-18-31)30-15-6-3-7-16-30)10-11-25(24)32(29-26)19-12-21-8-4-2-5-9-21/h2,4-5,8-9,22-23H,3,6-7,10-20H2,1H3,(H,28,33)/p+2/t23-/m0/s1