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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-methoxy-3-(pyridin-4-ylmethoxy)benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-methoxy-3-(4-pyridylmethoxy)benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-4-methoxy-3-(pyridin-4-ylmethoxy)benzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-4-methoxy-3-(pyridin-4-ylmethoxy)benzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-methoxy-3-(4-pyridylmethoxy)benzamide Formula: C27H33N4O3+ MolecularWeight: 461.57592

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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)OC)OCC4=CC=NC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O3/c1-4-30-13-15-31(16-14-30)23-6-7-24(20(2)17-23)29-27(32)22-5-8-25(33-3)26(18-22)34-19-21-9-11-28-12-10-21/h5-12,17-18H,4,13-16,19H2,1-3H3,(H,29,32)/p+1