1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(3-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(3-pyridinylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(3-pyridylmethyl)piperazine-1,4-diium Formula: C20H29N3O2+2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CN=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CN=CC=C3)OC

InChI

InChI=1S/C20H27N3O2/c1-3-25-20-13-17(6-7-19(20)24-2)15-22-9-11-23(12-10-22)16-18-5-4-8-21-14-18/h4-8,13-14H,3,9-12,15-16H2,1-2H3/p+2