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

Systemtic Name: 3-bromanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-methoxy-benzamide Formula: C21H27BrN3O2+ MolecularWeight: 433.36198

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O2/c1-4-24-9-11-25(12-10-24)17-6-7-19(15(2)13-17)23-21(26)16-5-8-20(27-3)18(22)14-16/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,26)/p+1