(E)-1-[1-[(E)-4-azanylbut-2-enyl]-4-(diphenylmethyl)piperazin-1-ium-1-yl]-3-pyridin-3-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[1-[(E)-4-azanylbut-2-enyl]-4-(diphenylmethyl)piperazin-1-ium-1-yl]-3-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-1-[1-[(E)-4-aminobut-2-enyl]-4-benzhydryl-piperazin-1-ium-1-yl]-3-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[1-[(E)-4-aminobut-2-enyl]-4-(diphenylmethyl)-1-piperazin-1-iumyl]-3-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[1-[(E)-4-aminobut-2-enyl]-4-benzhydrylpiperazin-1-ium-1-yl]-3-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-1-[1-[(E)-4-aminobut-2-enyl]-4-benzhydryl-piperazin-1-ium-1-yl]-3-(3-pyridyl)prop-2-en-1-one Formula: C29H33N4O+ MolecularWeight: 453.59852

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)(CC=CCN)C(=O)C=CC4=CN=CC=C4

Isomeric SMILES

C1C[N+](CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)(C/C=C/CN)C(=O)/C=C/C4=CN=CC=C4

InChI

InChI=1S/C29H33N4O/c30-17-7-8-21-33(28(34)16-15-25-10-9-18-31-24-25)22-19-32(20-23-33)29(26-11-3-1-4-12-26)27-13-5-2-6-14-27/h1-16,18,24,29H,17,19-23,30H2/q+1/b8-7+,16-15+