2-azanyl-3-(1,3-benzothiazol-2-yl)-7-oxidanyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one

Systemtic Name: 2-azanyl-3-(1,3-benzothiazol-2-yl)-7-oxidanyl-8-[[(1S,5R)-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one Openeye Name: 2-amino-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[(1S,5R)-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one CAS Name: 2-amino-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[(1S,5R)-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl]methyl]-1-benzopyran-4-one IUPAC Name: 2-amino-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[(1S,5R)-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl]methyl]chromen-4-one Traditional Name: 2-amino-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[[(1S,5R)-3,3,5-trimethyl-7-azoniabicyclo[3.2.1]octan-7-yl]methyl]chromone Formula: C27H30N3O3S+ MolecularWeight: 476.6104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(C[NH+]2CC3=C(C=CC4=C3OC(=C(C4=O)C5=NC6=CC=CC=C6S5)N)O)C)C

Isomeric SMILES

C[C@]12C[C@H](CC(C1)(C)C)[NH+](C2)CC3=C(C=CC4=C3OC(=C(C4=O)C5=NC6=CC=CC=C6S5)N)O

InChI

InChI=1S/C27H29N3O3S/c1-26(2)10-15-11-27(3,13-26)14-30(15)12-17-19(31)9-8-16-22(32)21(24(28)33-23(16)17)25-29-18-6-4-5-7-20(18)34-25/h4-9,15,31H,10-14,28H2,1-3H3/p+1/t15-,27-/m0/s1