6-chloranyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2H-chromene-3-carboxamide

Systemtic Name: 6-chloranyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2H-chromene-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-chloro-2H-chromene-3-carboxamide CAS Name: 6-chloro-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2H-1-benzopyran-3-carboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-chloro-2H-chromene-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-chloro-2H-chromene-3-carboxamide Formula: C22H24ClN2O2+ MolecularWeight: 383.89116

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2)CC4=CC=CC=C4

InChI

InChI=1S/C22H23ClN2O2/c23-19-6-7-21-17(13-19)12-18(15-27-21)22(26)24-20-8-10-25(11-9-20)14-16-4-2-1-3-5-16/h1-7,12-13,20H,8-11,14-15H2,(H,24,26)/p+1