(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C25H25N2O3+ MolecularWeight: 401.4776

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24N2O3/c28-25(11-9-19-8-10-23-24(16-19)30-18-29-23)27-14-12-26(13-15-27)17-21-6-3-5-20-4-1-2-7-22(20)21/h1-11,16H,12-15,17-18H2/p+1/b11-9+