N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-phenoxy-propanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-phenoxy-propanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-phenoxy-propanamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-3-phenoxypropanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-3-phenoxypropanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-phenoxy-propionamide 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)CCOC3=CC=CC=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCOC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O2/c1-3-24-12-14-25(15-13-24)19-9-10-21(18(2)17-19)23-22(26)11-16-27-20-7-5-4-6-8-20/h4-10,17H,3,11-16H2,1-2H3,(H,23,26)/p+1