N-[2-methyl-5-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propylcarbamoyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[2-methyl-5-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propylcarbamoyl]phenyl]furan-2-carboxamide Openeye Name: N-[2-methyl-5-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propylcarbamoyl]phenyl]furan-2-carboxamide CAS Name: N-[2-methyl-5-[[3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propylamino]-oxomethyl]phenyl]-2-furancarboxamide IUPAC Name: N-[2-methyl-5-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propylcarbamoyl]phenyl]furan-2-carboxamide Traditional Name: N-[2-methyl-5-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propylcarbamoyl]phenyl]-2-furamide Formula: C27H33N4O3+ MolecularWeight: 461.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCNC(=O)C3=CC(=C(C=C3)C)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCNC(=O)C3=CC(=C(C=C3)C)NC(=O)C4=CC=CO4

InChI

InChI=1S/C27H32N4O3/c1-20-6-3-7-23(18-20)31-15-13-30(14-16-31)12-5-11-28-26(32)22-10-9-21(2)24(19-22)29-27(33)25-8-4-17-34-25/h3-4,6-10,17-19H,5,11-16H2,1-2H3,(H,28,32)(H,29,33)/p+1