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

Systemtic Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-(4-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium IUPAC Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-(4-pyridylmethyl)piperazin-4-ium Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=CC=NC=C3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=CC=NC=C3)OC

InChI

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