5-[(4-methylpiperazin-1-ium-1-yl)methyl]-N-[(1S)-1-phenylbutyl]furan-2-carboxamide

Systemtic Name: 5-[(4-methylpiperazin-1-ium-1-yl)methyl]-N-[(1S)-1-phenylbutyl]furan-2-carboxamide Openeye Name: 5-[(4-methylpiperazin-1-ium-1-yl)methyl]-N-[(1S)-1-phenylbutyl]furan-2-carboxamide CAS Name: 5-[(4-methyl-1-piperazin-1-iumyl)methyl]-N-[(1S)-1-phenylbutyl]-2-furancarboxamide IUPAC Name: 5-[(4-methylpiperazin-1-ium-1-yl)methyl]-N-[(1S)-1-phenylbutyl]furan-2-carboxamide Traditional Name: 5-[(4-methylpiperazin-1-ium-1-yl)methyl]-N-[(1S)-1-phenylbutyl]-2-furamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C2=CC=C(O2)C[NH+]3CCN(CC3)C

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=C(O2)C[NH+]3CCN(CC3)C

InChI

InChI=1S/C21H29N3O2/c1-3-7-19(17-8-5-4-6-9-17)22-21(25)20-11-10-18(26-20)16-24-14-12-23(2)13-15-24/h4-6,8-11,19H,3,7,12-16H2,1-2H3,(H,22,25)/p+1/t19-/m0/s1