3,5-diacetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 3,5-diacetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 3,5-diacetamido-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 3,5-diacetamido-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 3,5-diacetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 3,5-diacetamido-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3)NC(=O)C

InChI

InChI=1S/C22H28N4O4/c1-15(27)24-18-11-17(12-19(13-18)25-16(2)28)22(29)23-14-20(21-7-6-10-30-21)26-8-4-3-5-9-26/h6-7,10-13,20H,3-5,8-9,14H2,1-2H3,(H,23,29)(H,24,27)(H,25,28)/p+1/t20-/m0/s1