(3R)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: (3R)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisochromene-6-carboxamide Openeye Name: (3R)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-oxo-3-phenyl-isochromane-6-carboxamide CAS Name: (3R)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: (3R)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide Traditional Name: (3R)-1-keto-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-phenyl-isochroman-6-carboxamide Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)C(=O)OC(C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)C(=O)O[C@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N2O3/c1-18-8-5-6-14-27(18)15-7-13-26-24(28)20-11-12-22-21(16-20)17-23(30-25(22)29)19-9-3-2-4-10-19/h2-4,9-12,16,18,23H,5-8,13-15,17H2,1H3,(H,26,28)/p+1/t18-,23+/m0/s1