1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-p-anisyl-piperazin-4-ium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C(=C3)OC)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)CC3=CC4=C(C(=C3)OC)OCO4

InChI

InChI=1S/C21H26N2O4/c1-24-18-5-3-16(4-6-18)13-22-7-9-23(10-8-22)14-17-11-19(25-2)21-20(12-17)26-15-27-21/h3-6,11-12H,7-10,13-15H2,1-2H3/p+1