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

Systemtic Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-chloranyl-2-methyl-phenyl)methanone Openeye Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-chloro-2-methyl-phenyl)methanone CAS Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-1-iumyl]-(4-chloro-2-methylphenyl)methanone IUPAC Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-chloro-2-methylphenyl)methanone Traditional Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-chloro-2-methyl-phenyl)methanone Formula: C21H23ClNO3+ MolecularWeight: 372.86522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C21H22ClNO3/c1-14-10-17(22)7-8-18(14)20(24)15-5-3-9-23(11-15)12-16-4-2-6-19-21(16)26-13-25-19/h2,4,6-8,10,15H,3,5,9,11-13H2,1H3/p+1/t15-/m0/s1