(3S)-1-[1-(furan-2-ylcarbonyl)piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(furan-2-ylcarbonyl)piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(furan-2-carbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[2-furanyl(oxo)methyl]-4-piperidinyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(furan-2-carbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-(2-furoyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C(=O)C3=CC=CO3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)C3=CC=CO3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3/c27-22(24-16-18-6-2-1-3-7-18)19-8-4-12-26(17-19)20-10-13-25(14-11-20)23(28)21-9-5-15-29-21/h1-3,5-7,9,15,19-20H,4,8,10-14,16-17H2,(H,24,27)/p+1/t19-/m0/s1