3-methylbutyl-[(5S)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 3-methylbutyl-[(5S)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: isopentyl-[(5S)-1-methyl-3-(2-thienylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 3-methylbutyl-[(5S)-1-methyl-3-[oxo-(thiophen-2-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 3-methylbutyl-[(5S)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: isoamyl-[(5S)-1-methyl-3-(2-thenylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C19H29N4OS+ MolecularWeight: 361.52476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH2+]C1CCC2=C(C1)C(=NN2C)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC(C)CC[NH2+][C@H]1CCC2=C(C1)C(=NN2C)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C19H28N4OS/c1-13(2)8-9-20-14-6-7-17-16(11-14)18(22-23(17)3)19(24)21-12-15-5-4-10-25-15/h4-5,10,13-14,20H,6-9,11-12H2,1-3H3,(H,21,24)/p+1/t14-/m0/s1