3-methyl-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzo[g][1]benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzo[g][1]benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzo[g]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[3-(4-phenyl-1-piperazin-1-iumyl)propyl]-2-benzo[g]benzofurancarboxamide IUPAC Name: 3-methyl-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzo[g][1]benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzo[g]benzofuran-2-carboxamide Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)NCCC[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)NCCC[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2/c1-20-23-13-12-21-8-5-6-11-24(21)26(23)32-25(20)27(31)28-14-7-15-29-16-18-30(19-17-29)22-9-3-2-4-10-22/h2-6,8-13H,7,14-19H2,1H3,(H,28,31)/p+1