(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(3-methyl-1-piperidyl)prop-2-en-1-one CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(3-methyl-1-piperidinyl)-2-propen-1-one IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(3-methylpiperidino)prop-2-en-1-one Formula: C16H18ClNO3 MolecularWeight: 307.77202

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C=CC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC1CCCN(C1)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H18ClNO3/c1-11-3-2-6-18(9-11)15(19)5-4-12-7-13(17)16-14(8-12)20-10-21-16/h4-5,7-8,11H,2-3,6,9-10H2,1H3/b5-4+