9-ethyl-1-[4-[(2R)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]piperazin-1-yl]carbazol-9-ium-9-carboxamide

Systemtic Name: 9-ethyl-1-[4-[(2R)-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]-2-oxidanyl-propyl]piperazin-1-yl]carbazol-9-ium-9-carboxamide Openeye Name: 9-ethyl-1-[4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]carbazol-9-ium-9-carboxamide CAS Name: 9-ethyl-1-[4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-1-piperazinyl]-9-carbazol-9-iumcarboxamide IUPAC Name: 9-ethyl-1-[4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]carbazol-9-ium-9-carboxamide Traditional Name: 9-ethyl-1-[4-[(2R)-2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazino]carbazol-9-ium-9-carboxamide Formula: C30H34N5O3S+ MolecularWeight: 544.68766

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=CC=CC=C2C3=C1C(=CC=C3)N4CCN(CC4)CC(COC5=CC6=C(C=C5)SC(=N6)C)O)C(=O)N

Isomeric SMILES

CC[N+]1(C2=CC=CC=C2C3=C1C(=CC=C3)N4CCN(CC4)C[C@H](COC5=CC6=C(C=C5)SC(=N6)C)O)C(=O)N

InChI

InChI=1S/C30H33N5O3S/c1-3-35(30(31)37)27-10-5-4-7-23(27)24-8-6-9-26(29(24)35)34-15-13-33(14-16-34)18-21(36)19-38-22-11-12-28-25(17-22)32-20(2)39-28/h4-12,17,21,36H,3,13-16,18-19H2,1-2H3,(H-,31,37)/p+1/t21-,35?/m1/s1