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

Systemtic Name: cyclopropylmethyl-[(5S)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-propyl-azanium Openeye Name: cyclopropylmethyl-[(5S)-1-methyl-3-(2-thienylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-propyl-ammonium CAS Name: cyclopropylmethyl-[(5S)-1-methyl-3-[oxo-(thiophen-2-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-propylammonium IUPAC Name: cyclopropylmethyl-[(5S)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-propylazanium Traditional Name: cyclopropylmethyl-[(5S)-1-methyl-3-(2-thenylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-propyl-ammonium Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC1)C2CCC3=C(C2)C(=NN3C)C(=O)NCC4=CC=CS4

Isomeric SMILES

CCC[NH+](CC1CC1)[C@H]2CCC3=C(C2)C(=NN3C)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H30N4OS/c1-3-10-25(14-15-6-7-15)16-8-9-19-18(12-16)20(23-24(19)2)21(26)22-13-17-5-4-11-27-17/h4-5,11,15-16H,3,6-10,12-14H2,1-2H3,(H,22,26)/p+1/t16-/m0/s1