[1-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [1-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Openeye Name: [1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone CAS Name: [1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumyl]-(4-methoxyphenyl)methanone IUPAC Name: [1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Traditional Name: [1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-(4-methoxyphenyl)methanone Formula: C21H23ClNO4+ MolecularWeight: 388.86462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C21H22ClNO4/c1-25-17-4-2-15(3-5-17)20(24)16-6-8-23(9-7-16)12-14-10-18(22)21-19(11-14)26-13-27-21/h2-5,10-11,16H,6-9,12-13H2,1H3/p+1