1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(2-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(pyridin-1-ium-2-ylmethyl)piperazine-1,4-diium Formula: C20H30N3O2+3 MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=[NH+]3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=[NH+]3)OC

InChI

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