N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(pyridin-3-ylmethoxy)benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(pyridin-3-ylmethoxy)benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(3-pyridylmethoxy)benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-4-(3-pyridinylmethoxy)benzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-4-(pyridin-3-ylmethoxy)benzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(3-pyridylmethoxy)benzamide Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)OCC4=CN=CC=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)OCC4=CN=CC=C4)C

InChI

InChI=1S/C26H30N4O2/c1-3-29-13-15-30(16-14-29)23-8-11-25(20(2)17-23)28-26(31)22-6-9-24(10-7-22)32-19-21-5-4-12-27-18-21/h4-12,17-18H,3,13-16,19H2,1-2H3,(H,28,31)/p+1