4-[(E)-3-[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]prop-1-enyl]-2-methoxy-phenol

Systemtic Name: 4-[(E)-3-[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]prop-1-enyl]-2-methoxy-phenol Openeye Name: 4-[(E)-3-[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]prop-1-enyl]-2-methoxy-phenol CAS Name: 4-[(E)-3-[(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidin-1-iumyl]prop-1-enyl]-2-methoxyphenol IUPAC Name: 4-[(E)-3-[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]prop-1-enyl]-2-methoxyphenol Traditional Name: 4-[(E)-3-[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]prop-1-enyl]-2-methoxy-phenol Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC[NH+]2CCCC(C2)NC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C[NH+]2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H26N2O4/c1-26-21-12-16(6-8-19(21)25)4-2-10-24-11-3-5-18(14-24)23-17-7-9-20-22(13-17)28-15-27-20/h2,4,6-9,12-13,18,23,25H,3,5,10-11,14-15H2,1H3/p+1/b4-2+/t18-/m0/s1