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

Systemtic Name: cyclohexylmethyl-[(5S)-1-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cyclohexylmethyl-[(5S)-1-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cyclohexylmethyl-[(5S)-1-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclohexylmethyl-[(5S)-1-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cyclohexylmethyl-[(5S)-1-methyl-3-(methylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C17H29N4O+ MolecularWeight: 305.43836

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C2=C1CC(CC2)[NH2+]CC3CCCCC3)C

Isomeric SMILES

CNC(=O)C1=NN(C2=C1C[C@H](CC2)[NH2+]CC3CCCCC3)C

InChI

InChI=1S/C17H28N4O/c1-18-17(22)16-14-10-13(8-9-15(14)21(2)20-16)19-11-12-6-4-3-5-7-12/h12-13,19H,3-11H2,1-2H3,(H,18,22)/p+1/t13-/m0/s1