10-[4-[[(2,6-dimethoxyphenyl)methoxycarbonylamino]methyl]phenyl]acridin-10-ium-9-carboxylic acid

Systemtic Name: 10-[4-[[(2,6-dimethoxyphenyl)methoxycarbonylamino]methyl]phenyl]acridin-10-ium-9-carboxylic acid Openeye Name: 10-[4-[[(2,6-dimethoxyphenyl)methoxycarbonylamino]methyl]phenyl]acridin-10-ium-9-carboxylic acid CAS Name: 10-[4-[[[(2,6-dimethoxyphenyl)methoxy-oxomethyl]amino]methyl]phenyl]-9-acridin-10-iumcarboxylic acid IUPAC Name: 10-[4-[[(2,6-dimethoxyphenyl)methoxycarbonylamino]methyl]phenyl]acridin-10-ium-9-carboxylic acid Traditional Name: 10-[4-[[(2,6-dimethoxybenzyl)oxycarbonylamino]methyl]phenyl]acridin-10-ium-9-carboxylic acid Formula: C31H27N2O6+ MolecularWeight: 523.55588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)COC(=O)NCC2=CC=C(C=C2)[N+]3=C4C=CC=CC4=C(C5=CC=CC=C53)C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)COC(=O)NCC2=CC=C(C=C2)[N+]3=C4C=CC=CC4=C(C5=CC=CC=C53)C(=O)O

InChI

InChI=1S/C31H26N2O6/c1-37-27-12-7-13-28(38-2)24(27)19-39-31(36)32-18-20-14-16-21(17-15-20)33-25-10-5-3-8-22(25)29(30(34)35)23-9-4-6-11-26(23)33/h3-17H,18-19H2,1-2H3,(H-,32,34,35,36)/p+1