2,3-bis(oxidanyl)butanedioate; [1-(4-methoxyphenyl)-4-(6-methylnaphthalen-1-yl)butyl]-methyl-azanium

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; [1-(4-methoxyphenyl)-4-(6-methylnaphthalen-1-yl)butyl]-methyl-azanium Openeye Name: 2,3-dihydroxybutanedioate; [1-(4-methoxyphenyl)-4-(6-methyl-1-naphthyl)butyl]-methyl-ammonium CAS Name: 2,3-dihydroxybutanedioate; [1-(4-methoxyphenyl)-4-(6-methyl-1-naphthalenyl)butyl]-methylammonium IUPAC Name: 2,3-dihydroxybutanedioate; [1-(4-methoxyphenyl)-4-(6-methylnaphthalen-1-yl)butyl]-methylazanium Traditional Name: [1-(4-methoxyphenyl)-4-(6-methyl-1-naphthyl)butyl]-methyl-ammonium tartrate Formula: C50H60N2O8 MolecularWeight: 817.02

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC=C2)CCCC(C3=CC=C(C=C3)OC)[NH2+]C.CC1=CC2=C(C=C1)C(=CC=C2)CCCC(C3=CC=C(C=C3)OC)[NH2+]C.C(C(C(=O)[O-])O)(C(=O)[O-])O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC=C2)CCCC(C3=CC=C(C=C3)OC)[NH2+]C.CC1=CC2=C(C=C1)C(=CC=C2)CCCC(C3=CC=C(C=C3)OC)[NH2+]C.C(C(C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/2C23H27NO.C4H6O6/c2*1-17-10-15-22-18(6-4-8-20(22)16-17)7-5-9-23(24-2)19-11-13-21(25-3)14-12-19;5-1(3(7)8)2(6)4(9)10/h2*4,6,8,10-16,23-24H,5,7,9H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)