N-[(2S)-3-methyl-1-oxidanylidene-1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]propyl]furan-2-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]butan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]butan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]carbamoyl]propyl]-2-furamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C23H31N3O3/c1-17(2)21(25-22(27)20-7-6-14-29-20)23(28)24-15-18-8-10-19(11-9-18)16-26-12-4-3-5-13-26/h6-11,14,17,21H,3-5,12-13,15-16H2,1-2H3,(H,24,28)(H,25,27)/p+1/t21-/m0/s1