N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(methoxymethyl)benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(methoxymethyl)benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(methoxymethyl)benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-4-(methoxymethyl)benzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-4-(methoxymethyl)benzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-4-(methoxymethyl)benzamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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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)COC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-4-24-11-13-25(14-12-24)20-9-10-21(17(2)15-20)23-22(26)19-7-5-18(6-8-19)16-27-3/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26)/p+1