1-(2H-chromen-2-ylmethyl)-1-(3,4-dimethoxyphenyl)piperazin-1-ium

Systemtic Name: 1-(2H-chromen-2-ylmethyl)-1-(3,4-dimethoxyphenyl)piperazin-1-ium Openeye Name: 1-(2H-chromen-2-ylmethyl)-1-(3,4-dimethoxyphenyl)piperazin-1-ium CAS Name: 1-(2H-1-benzopyran-2-ylmethyl)-1-(3,4-dimethoxyphenyl)piperazin-1-ium IUPAC Name: 1-(2H-chromen-2-ylmethyl)-1-(3,4-dimethoxyphenyl)piperazin-1-ium Traditional Name: 1-(2H-chromen-2-ylmethyl)-1-(3,4-dimethoxyphenyl)piperazin-1-ium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+]2(CCNCC2)CC3C=CC4=CC=CC=C4O3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+]2(CCNCC2)CC3C=CC4=CC=CC=C4O3)OC

InChI

InChI=1S/C22H27N2O3/c1-25-21-10-8-18(15-22(21)26-2)24(13-11-23-12-14-24)16-19-9-7-17-5-3-4-6-20(17)27-19/h3-10,15,19,23H,11-14,16H2,1-2H3/q+1