(3R)-1-(2-methylfuran-3-yl)carbonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-(2-methylfuran-3-yl)carbonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3R)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-methylfuran-3-carbonyl)piperidine-3-carboxamide CAS Name: (3R)-1-[(2-methyl-3-furanyl)-oxomethyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3R)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-methylfuran-3-carbonyl)piperidine-3-carboxamide Traditional Name: (3R)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-methyl-3-furoyl)nipecotamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CCCC(C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CCC[C@H](C2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3/c1-18-22(11-15-30-18)24(29)27-12-5-8-20(17-27)23(28)25-21-9-13-26(14-10-21)16-19-6-3-2-4-7-19/h2-4,6-7,11,15,20-21H,5,8-10,12-14,16-17H2,1H3,(H,25,28)/p+1/t20-/m1/s1