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

Systemtic Name: 2-diethylaminoethyl-[(5S)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-diethylaminoethyl-[(5S)-1-methyl-3-(2-thienylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-diethylaminoethyl-[(5S)-1-methyl-3-[oxo-(thiophen-2-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-diethylaminoethyl-[(5S)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2-diethylaminoethyl-[(5S)-1-methyl-3-(2-thenylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C20H32N5OS+ MolecularWeight: 390.56598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5OS/c1-4-25(5-2)11-10-21-15-8-9-18-17(13-15)19(23-24(18)3)20(26)22-14-16-7-6-12-27-16/h6-7,12,15,21H,4-5,8-11,13-14H2,1-3H3,(H,22,26)/p+1/t15-/m0/s1