(3S)-6-chloranyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide

Systemtic Name: (3S)-6-chloranyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: (3S)-6-chloro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]chromane-3-carboxamide CAS Name: (3S)-6-chloro-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: (3S)-6-chloro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: (3S)-6-chloro-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]chroman-3-carboxamide Formula: C22H26ClN2O2+ MolecularWeight: 385.90704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)[C@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C22H25ClN2O2/c23-20-7-8-21-18(12-20)11-19(15-27-21)22(26)24-13-16-5-1-2-6-17(16)14-25-9-3-4-10-25/h1-2,5-8,12,19H,3-4,9-11,13-15H2,(H,24,26)/p+1/t19-/m0/s1