1-benzothiophen-2-ylmethyl-[(5R)-1-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-[(5R)-1-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: benzothiophen-2-ylmethyl-[(5R)-1-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[(5R)-1-methyl-3-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[(5R)-1-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: benzothiophen-2-ylmethyl-[(5R)-1-methyl-3-(2-morpholin-4-ium-4-ylethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C24H33N5O2S+2 MolecularWeight: 455.61612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CC3=CC4=CC=CC=C4S3)C(=N1)C(=O)NCC[NH+]5CCOCC5

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CC3=CC4=CC=CC=C4S3)C(=N1)C(=O)NCC[NH+]5CCOCC5

InChI

InChI=1S/C24H31N5O2S/c1-28-21-7-6-18(26-16-19-14-17-4-2-3-5-22(17)32-19)15-20(21)23(27-28)24(30)25-8-9-29-10-12-31-13-11-29/h2-5,14,18,26H,6-13,15-16H2,1H3,(H,25,30)/p+2/t18-/m1/s1