3-[5-[(E)-2-[1-(2-azanylethyl)-6-methoxy-quinolin-1-ium-2-yl]ethenyl]-3-methoxy-2-oxidanyl-phenyl]-5-methoxy-4-oxidanyl-benzaldehyde

Systemtic Name: 3-[5-[(E)-2-[1-(2-azanylethyl)-6-methoxy-quinolin-1-ium-2-yl]ethenyl]-3-methoxy-2-oxidanyl-phenyl]-5-methoxy-4-oxidanyl-benzaldehyde Openeye Name: 3-[5-[(E)-2-[1-(2-aminoethyl)-6-methoxy-quinolin-1-ium-2-yl]vinyl]-2-hydroxy-3-methoxy-phenyl]-4-hydroxy-5-methoxy-benzaldehyde CAS Name: 3-[5-[(E)-2-[1-(2-aminoethyl)-6-methoxy-2-quinolin-1-iumyl]ethenyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxybenzaldehyde IUPAC Name: 3-[5-[(E)-2-[1-(2-aminoethyl)-6-methoxyquinolin-1-ium-2-yl]ethenyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxybenzaldehyde Traditional Name: 3-[5-[(E)-2-[1-(2-aminoethyl)-6-methoxy-quinolin-1-ium-2-yl]vinyl]-2-hydroxy-3-methoxy-phenyl]-4-hydroxy-5-methoxy-benzaldehyde Formula: C29H29N2O6+ MolecularWeight: 501.55036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=CC(=C(C(=C3)C4=CC(=CC(=C4O)OC)C=O)O)OC)CCN

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C/C3=CC(=C(C(=C3)C4=CC(=CC(=C4O)OC)C=O)O)OC)CCN

InChI

InChI=1S/C29H28N2O6/c1-35-22-8-9-25-20(16-22)5-7-21(31(25)11-10-30)6-4-18-12-23(28(33)26(14-18)36-2)24-13-19(17-32)15-27(37-3)29(24)34/h4-9,12-17H,10-11,30H2,1-3H3,(H,32,34)/p+1