2-[1-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole

Systemtic Name: 2-[1-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole Openeye Name: 2-[1-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole CAS Name: 2-[1-[(2-chloro-7,8-dimethyl-3-quinolinyl)methyl]-4-piperidin-1-iumyl]-1,3-benzoxazole IUPAC Name: 2-[1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole Traditional Name: 2-[1-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]piperidin-1-ium-4-yl]-1,3-benzoxazole Formula: C24H25ClN3O+ MolecularWeight: 406.9278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5O4)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5O4)Cl)C

InChI

InChI=1S/C24H24ClN3O/c1-15-7-8-18-13-19(23(25)27-22(18)16(15)2)14-28-11-9-17(10-12-28)24-26-20-5-3-4-6-21(20)29-24/h3-8,13,17H,9-12,14H2,1-2H3/p+1