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

Systemtic Name: (3S)-6-chloranyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide Openeye Name: (3S)-6-chloro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]chromane-3-carboxamide CAS Name: (3S)-6-chloro-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name: (3S)-6-chloro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide Traditional Name: (3S)-6-chloro-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]chroman-3-carboxamide Formula: C23H28ClN2O2+ MolecularWeight: 399.93362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)[C@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C23H27ClN2O2/c24-21-8-9-22-19(13-21)12-20(16-28-22)23(27)25-14-17-6-2-3-7-18(17)15-26-10-4-1-5-11-26/h2-3,6-9,13,20H,1,4-5,10-12,14-16H2,(H,25,27)/p+1/t20-/m0/s1