2-(4-methoxyphenyl)-N-(phenylmethyl)-4aH-benzo[f]chromen-4-ium-4-amine perchlorate

Systemtic Name: 2-(4-methoxyphenyl)-N-(phenylmethyl)-4aH-benzo[f]chromen-4-ium-4-amine perchlorate Openeye Name: N-benzyl-2-(4-methoxyphenyl)-4aH-benzo[f]chromen-4-ium-4-amine perchlorate CAS Name: 2-(4-methoxyphenyl)-N-(phenylmethyl)-4aH-benzo[f][1]benzopyran-4-ium-4-amine perchlorate IUPAC Name: N-benzyl-2-(4-methoxyphenyl)-4aH-benzo[f]chromen-4-ium-4-amine perchlorate Traditional Name: benzyl-[2-(4-methoxyphenyl)-4aH-benzo[f]chromen-4-ium-4-yl]amine perchlorate Formula: C27H24ClNO6 MolecularWeight: 493.93556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C[O+](C3C=CC4=CC=CC=C4C3=C2)NCC5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C[O+](C3C=CC4=CC=CC=C4C3=C2)NCC5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C27H24NO2.ClHO4/c1-29-24-14-11-21(12-15-24)23-17-26-25-10-6-5-9-22(25)13-16-27(26)30(19-23)28-18-20-7-3-2-4-8-20;2-1(3,4)5/h2-17,19,27-28H,18H2,1H3;(H,2,3,4,5)/q+1;/p-1