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

Systemtic Name: (5S)-N-methyl-5-morpholin-4-ium-4-yl-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5S)-N-methyl-5-morpholin-4-ium-4-yl-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5S)-N-methyl-5-(4-morpholin-4-iumyl)-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5S)-N-methyl-5-morpholin-4-ium-4-yl-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5S)-N-methyl-5-morpholin-4-ium-4-yl-1-phenethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C2=C1CC(CC2)[NH+]3CCOCC3)CCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=NN(C2=C1C[C@H](CC2)[NH+]3CCOCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H28N4O2/c1-22-21(26)20-18-15-17(24-11-13-27-14-12-24)7-8-19(18)25(23-20)10-9-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3,(H,22,26)/p+1/t17-/m0/s1