4-butoxy-N-[2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 4-butoxy-N-[2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]benzamide Openeye Name: 4-butoxy-N-[2-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]benzamide CAS Name: 4-butoxy-N-[2-[[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-2-oxoethyl]benzamide IUPAC Name: 4-butoxy-N-[2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-2-oxoethyl]benzamide Traditional Name: 4-butoxy-N-[2-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-2-keto-ethyl]benzamide Formula: C24H34N3O4+ MolecularWeight: 428.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C24H33N3O4/c1-2-3-15-30-20-11-9-19(10-12-20)24(29)26-18-23(28)25-17-21(22-8-7-16-31-22)27-13-5-4-6-14-27/h7-12,16,21H,2-6,13-15,17-18H2,1H3,(H,25,28)(H,26,29)/p+1/t21-/m0/s1