[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(5-chloranyl-2-methoxy-phenyl)methanone

Systemtic Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(5-chloranyl-2-methoxy-phenyl)methanone Openeye Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(5-chloro-2-methoxy-phenyl)methanone CAS Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-1-iumyl]-(5-chloro-2-methoxyphenyl)methanone IUPAC Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(5-chloro-2-methoxyphenyl)methanone Traditional Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(5-chloro-2-methoxy-phenyl)methanone Formula: C21H23ClNO4+ MolecularWeight: 388.86462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)C2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C21H22ClNO4/c1-25-18-8-7-16(22)10-17(18)20(24)14-5-3-9-23(11-14)12-15-4-2-6-19-21(15)27-13-26-19/h2,4,6-8,10,14H,3,5,9,11-13H2,1H3/p+1/t14-/m0/s1