ethyl-(phenylmethyl)-[(2,5,7-trimethyl-4-oxidanyl-quinolin-1-ium-3-yl)methyl]azanium

Systemtic Name: ethyl-(phenylmethyl)-[(2,5,7-trimethyl-4-oxidanyl-quinolin-1-ium-3-yl)methyl]azanium Openeye Name: benzyl-ethyl-[(4-hydroxy-2,5,7-trimethyl-quinolin-1-ium-3-yl)methyl]ammonium CAS Name: ethyl-[(4-hydroxy-2,5,7-trimethyl-3-quinolin-1-iumyl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(4-hydroxy-2,5,7-trimethylquinolin-1-ium-3-yl)methyl]azanium Traditional Name: benzyl-ethyl-[(4-hydroxy-2,5,7-trimethyl-quinolin-1-ium-3-yl)methyl]ammonium Formula: C22H28N2O+2 MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=C(C3=C(C=C(C=C3[NH+]=C2C)C)C)O

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=C(C3=C(C=C(C=C3[NH+]=C2C)C)C)O

InChI

InChI=1S/C22H26N2O/c1-5-24(13-18-9-7-6-8-10-18)14-19-17(4)23-20-12-15(2)11-16(3)21(20)22(19)25/h6-12H,5,13-14H2,1-4H3,(H,23,25)/p+2