(3S)-2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C24H30N5O4S+ MolecularWeight: 484.5911

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CC5=CC=CC=C5CC4C(=O)N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CC5=CC=CC=C5C[C@H]4C(=O)N

InChI

InChI=1S/C24H29N5O4S/c1-2-29-21-8-7-19(34(31,32)28-9-11-33-12-10-28)14-20(21)26-23(29)16-27-15-18-6-4-3-5-17(18)13-22(27)24(25)30/h3-8,14,22H,2,9-13,15-16H2,1H3,(H2,25,30)/p+1/t22-/m0/s1