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

Systemtic Name: (3S)-2-[(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[[5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-[(5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C25H32N5O4S+ MolecularWeight: 498.61768

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CC5=CC=CC=C5CC4C(=O)N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C[NH+]4CC5=CC=CC=C5C[C@H]4C(=O)N

InChI

InChI=1S/C25H31N5O4S/c1-2-9-30-22-8-7-20(35(32,33)29-10-12-34-13-11-29)15-21(22)27-24(30)17-28-16-19-6-4-3-5-18(19)14-23(28)25(26)31/h3-8,15,23H,2,9-14,16-17H2,1H3,(H2,26,31)/p+1/t23-/m0/s1