N-[(2S)-1-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-1-methyl-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-1-oxopropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-2-keto-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-1-methyl-ethyl]-2-furamide Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-16(24-22(27)20-7-6-14-29-20)21(26)23-15-19(25-12-4-3-5-13-25)17-8-10-18(28-2)11-9-17/h6-11,14,16,19H,3-5,12-13,15H2,1-2H3,(H,23,26)(H,24,27)/p+1/t16-,19-/m0/s1