1,3-benzodioxol-5-yl-[(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-3-yl]methanone Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCCC(C2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CCC[C@@H](C2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H25NO4/c1-26-20-9-3-2-6-17(20)7-4-12-24-13-5-8-19(15-24)23(25)18-10-11-21-22(14-18)28-16-27-21/h2-4,6-7,9-11,14,19H,5,8,12-13,15-16H2,1H3/p+1/b7-4+/t19-/m0/s1