(E)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-(3-phenoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-(3-phenoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-(3-phenoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-3-(3-phenoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-3-(3-phenoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-3-(3-phenoxyphenyl)prop-2-en-1-one Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c29-24(28-17-15-26(16-18-28)20-25(30)27-13-4-5-14-27)12-11-21-7-6-10-23(19-21)31-22-8-2-1-3-9-22/h1-3,6-12,19H,4-5,13-18,20H2/p+1/b12-11+