1,3-benzodioxol-5-yl-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]methanone Formula: C20H28NO3+ MolecularWeight: 330.44122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H27NO3/c22-20(16-8-9-18-19(11-16)24-14-23-18)17-7-4-10-21(13-17)12-15-5-2-1-3-6-15/h8-9,11,15,17H,1-7,10,12-14H2/p+1/t17-/m0/s1