1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C19H27N3O2+2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C19H25N3O2/c1-3-24-18-14-16(7-8-17(18)23-2)15-21-10-12-22(13-11-21)19-6-4-5-9-20-19/h4-9,14H,3,10-13,15H2,1-2H3/p+2