[5-chloranyl-2-[1,4-dimethyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-2-methyl-3-oxidanylidene-1,2-benzoxazol-2-ium-6-yl]-trimethyl-azanium

Systemtic Name: [5-chloranyl-2-[1,4-dimethyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-2-methyl-3-oxidanylidene-1,2-benzoxazol-2-ium-6-yl]-trimethyl-azanium Openeye Name: [2-(1-benzyl-1,4-dimethyl-piperidin-1-ium-4-yl)-5-chloro-2-methyl-3-oxo-1,2-benzoxazol-2-ium-6-yl]-trimethyl-ammonium CAS Name: [5-chloro-2-[1,4-dimethyl-1-(phenylmethyl)-4-piperidin-1-iumyl]-2-methyl-3-oxo-1,2-benzoxazol-2-ium-6-yl]-trimethylammonium IUPAC Name: [2-(1-benzyl-1,4-dimethylpiperidin-1-ium-4-yl)-5-chloro-2-methyl-3-oxo-1,2-benzoxazol-2-ium-6-yl]-trimethylazanium Traditional Name: [2-(1-benzyl-1,4-dimethyl-piperidin-1-ium-4-yl)-5-chloro-3-keto-2-methyl-indoxazen-2-ium-6-yl]-trimethyl-ammonium Formula: C25H35ClN3O2+3 MolecularWeight: 445.0173

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC[N+](CC1)(C)CC2=CC=CC=C2)[N+]3(C(=O)C4=CC(=C(C=C4O3)[N+](C)(C)C)Cl)C

Isomeric SMILES

CC1(CC[N+](CC1)(C)CC2=CC=CC=C2)[N+]3(C(=O)C4=CC(=C(C=C4O3)[N+](C)(C)C)Cl)C

InChI

InChI=1S/C25H35ClN3O2/c1-25(12-14-28(5,15-13-25)18-19-10-8-7-9-11-19)29(6)24(30)20-16-21(26)22(27(2,3)4)17-23(20)31-29/h7-11,16-17H,12-15,18H2,1-6H3/q+3