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

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-1-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C25H24N3O2+ MolecularWeight: 398.47696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)C=CC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)/C=C/C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H23N3O2/c29-25(13-12-24-26-22-10-3-4-11-23(22)30-24)28-16-14-27(15-17-28)18-20-8-5-7-19-6-1-2-9-21(19)20/h1-13H,14-18H2/p+1/b13-12+