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

Systemtic Name: (5S)-N-methyl-1-phenethyl-5-pyrrolidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5S)-N-methyl-1-phenethyl-5-pyrrolidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5S)-N-methyl-1-phenethyl-5-(1-pyrrolidin-1-iumyl)-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5S)-N-methyl-1-phenethyl-5-pyrrolidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5S)-N-methyl-1-phenethyl-5-pyrrolidin-1-ium-1-yl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C2=C1CC(CC2)[NH+]3CCCC3)CCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=NN(C2=C1C[C@H](CC2)[NH+]3CCCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H28N4O/c1-22-21(26)20-18-15-17(24-12-5-6-13-24)9-10-19(18)25(23-20)14-11-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3,(H,22,26)/p+1/t17-/m0/s1