cyclopentyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: cyclopentyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cyclopentyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cyclopentyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclopentyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cyclopentyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C2=C1CC(CC2)[NH2+]C3CCCC3)CCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=NN(C2=C1C[C@H](CC2)[NH2+]C3CCCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H30N4O/c1-23-22(27)21-19-15-18(24-17-9-5-6-10-17)11-12-20(19)26(25-21)14-13-16-7-3-2-4-8-16/h2-4,7-8,17-18,24H,5-6,9-15H2,1H3,(H,23,27)/p+1/t18-/m0/s1