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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=NN(C2=C1CC(CC2)[NH+]3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)C1=NN(C2=C1C[C@H](CC2)[NH+]3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H28N4O/c1-23(2)21(26)20-18-14-17(24-12-6-7-13-24)10-11-19(18)25(22-20)15-16-8-4-3-5-9-16/h3-5,8-9,17H,6-7,10-15H2,1-2H3/p+1/t17-/m0/s1