N-[2-methyl-5-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[2-methyl-5-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide Openeye Name: N-[2-methyl-5-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide CAS Name: N-[2-methyl-5-[oxo-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[2-methyl-5-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide Traditional Name: N-[2-methyl-5-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]carbamoyl]phenyl]-2-furamide Formula: C26H30N3O3+ MolecularWeight: 432.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C26H29N3O3/c1-19-7-12-22(16-23(19)28-26(31)24-6-5-15-32-24)25(30)27-17-20-8-10-21(11-9-20)18-29-13-3-2-4-14-29/h5-12,15-16H,2-4,13-14,17-18H2,1H3,(H,27,30)(H,28,31)/p+1