(3S)-6-chloranyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: (3S)-6-chloranyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: (3S)-6-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]chromane-3-carboxamide CAS Name: (3S)-6-chloro-N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: (3S)-6-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: (3S)-6-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]chroman-3-carboxamide Formula: C22H26ClN2O3+ MolecularWeight: 401.90644

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1COCC[NH+]1C[C@@H](C2=CC=CC=C2)NC(=O)[C@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C22H25ClN2O3/c23-19-6-7-21-17(13-19)12-18(15-28-21)22(26)24-20(16-4-2-1-3-5-16)14-25-8-10-27-11-9-25/h1-7,13,18,20H,8-12,14-15H2,(H,24,26)/p+1/t18-,20-/m0/s1