(3R)-3-acetamido-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-propanamide

Systemtic Name: (3R)-3-acetamido-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-propanamide Openeye Name: (3R)-3-acetamido-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-propanamide CAS Name: (3R)-3-acetamido-N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-phenylpropanamide IUPAC Name: (3R)-3-acetamido-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-phenylpropanamide Traditional Name: (3R)-3-acetamido-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-propionamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCC(C1=CC=CO1)[NH+]2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)NC[C@H](C1=CC=CO1)[NH+]2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3/c1-17(26)24-19(18-9-4-2-5-10-18)15-22(27)23-16-20(21-11-8-14-28-21)25-12-6-3-7-13-25/h2,4-5,8-11,14,19-20H,3,6-7,12-13,15-16H2,1H3,(H,23,27)(H,24,26)/p+1/t19-,20-/m1/s1