(3S)-1-oxidanylidene-3-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3S)-1-oxidanylidene-3-phenyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3S)-1-oxo-3-phenyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-keto-3-phenyl-isochroman-6-carboxamide Formula: C28H29N2O3+ MolecularWeight: 441.54146

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)C(=O)O[C@@H](C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N2O3/c31-27(29-24-13-15-30(16-14-24)19-20-7-3-1-4-8-20)22-11-12-25-23(17-22)18-26(33-28(25)32)21-9-5-2-6-10-21/h1-12,17,24,26H,13-16,18-19H2,(H,29,31)/p+1/t26-/m0/s1