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

Systemtic Name: cyclopropylmethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cyclopropylmethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cyclopropylmethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclopropylmethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cyclopropylmethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C2=C1CC(CC2)[NH2+]CC3CC3)CCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=NN(C2=C1C[C@H](CC2)[NH2+]CC3CC3)CCC4=CC=CC=C4

InChI

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