1-benzothiophen-2-ylmethyl-methyl-[(5S)-3-piperidin-1-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-methyl-[(5S)-3-piperidin-1-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(benzothiophen-2-ylmethyl)-methyl-ammonium CAS Name: 1-benzothiophen-2-ylmethyl-methyl-[(5S)-3-[oxo(1-piperidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-methyl-[(5S)-3-(piperidine-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(benzothiophen-2-ylmethyl)-methyl-ammonium Formula: C26H33N4OS+ MolecularWeight: 449.63142

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2S1)C3CCC4=C(C3)C(=NN4CC=C)C(=O)N5CCCCC5

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2S1)[C@H]3CCC4=C(C3)C(=NN4CC=C)C(=O)N5CCCCC5

InChI

InChI=1S/C26H32N4OS/c1-3-13-30-23-12-11-20(28(2)18-21-16-19-9-5-6-10-24(19)32-21)17-22(23)25(27-30)26(31)29-14-7-4-8-15-29/h3,5-6,9-10,16,20H,1,4,7-8,11-15,17-18H2,2H3/p+1/t20-/m0/s1