N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-ethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-ethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-ethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-N-ethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C23H34N4O3+2 MolecularWeight: 414.54106

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C23H32N4O3/c1-4-26(17-19-9-10-20(30-5-2)21(16-19)29-3)23(28)18-25-12-14-27(15-13-25)22-8-6-7-11-24-22/h6-11,16H,4-5,12-15,17-18H2,1-3H3/p+2