(3S)-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-[2-keto-2-(4-mesylpiperazino)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C17H25N4O4S+ MolecularWeight: 381.4698

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)C[NH+]2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)C[NH+]2CC3=CC=CC=C3C[C@H]2C(=O)N

InChI

InChI=1S/C17H24N4O4S/c1-26(24,25)21-8-6-19(7-9-21)16(22)12-20-11-14-5-3-2-4-13(14)10-15(20)17(18)23/h2-5,15H,6-12H2,1H3,(H2,18,23)/p+1/t15-/m0/s1