(3S)-1-[(3-ethanoylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(3-ethanoylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3-acetylphenyl)methyl]-N-[4-(2-furyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(3-acetylphenyl)methyl]-N-[4-(2-furanyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(3-acetylphenyl)methyl]-N-[4-(furan-2-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(3-acetylbenzyl)-N-[4-(2-furyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=CO4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C25H26N2O3/c1-18(28)21-6-2-5-19(15-21)16-27-13-3-7-22(17-27)25(29)26-23-11-9-20(10-12-23)24-8-4-14-30-24/h2,4-6,8-12,14-15,22H,3,7,13,16-17H2,1H3,(H,26,29)/p+1/t22-/m0/s1