[1-(3-chloranyl-4-ethoxy-phenyl)-4-(6-iodanylnaphthalen-2-yl)butyl]-dimethyl-azanium; propanedioate

Systemtic Name: [1-(3-chloranyl-4-ethoxy-phenyl)-4-(6-iodanylnaphthalen-2-yl)butyl]-dimethyl-azanium; propanedioate Openeye Name: [1-(3-chloro-4-ethoxy-phenyl)-4-(6-iodo-2-naphthyl)butyl]-dimethyl-ammonium; propanedioate CAS Name: [1-(3-chloro-4-ethoxyphenyl)-4-(6-iodo-2-naphthalenyl)butyl]-dimethylammonium; propanedioate IUPAC Name: [1-(3-chloro-4-ethoxyphenyl)-4-(6-iodonaphthalen-2-yl)butyl]-dimethylazanium; propanedioate Traditional Name: [1-(3-chloro-4-ethoxy-phenyl)-4-(6-iodo-2-naphthyl)butyl]-dimethyl-ammonium; malonate Formula: C51H58Cl2I2N2O6 MolecularWeight: 1119.73096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CCCC2=CC3=C(C=C2)C=C(C=C3)I)[NH+](C)C)Cl.CCOC1=C(C=C(C=C1)C(CCCC2=CC3=C(C=C2)C=C(C=C3)I)[NH+](C)C)Cl.C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CCCC2=CC3=C(C=C2)C=C(C=C3)I)[NH+](C)C)Cl.CCOC1=C(C=C(C=C1)C(CCCC2=CC3=C(C=C2)C=C(C=C3)I)[NH+](C)C)Cl.C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C24H27ClINO.C3H4O4/c2*1-4-28-24-13-11-20(16-22(24)25)23(27(2)3)7-5-6-17-8-9-19-15-21(26)12-10-18(19)14-17;4-2(5)1-3(6)7/h2*8-16,23H,4-7H2,1-3H3;1H2,(H,4,5)(H,6,7)