(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C21H22ClN2O3+ MolecularWeight: 385.86398

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C=CC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)/C=C/C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C21H21ClN2O3/c1-23-9-10-24(18(13-23)16-5-3-2-4-6-16)20(25)8-7-15-11-17(22)21-19(12-15)26-14-27-21/h2-8,11-12,18H,9-10,13-14H2,1H3/p+1/b8-7+/t18-/m0/s1