furan-2-ylmethyl-methyl-[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl]azanium

Systemtic Name: furan-2-ylmethyl-methyl-[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]ethyl]azanium Openeye Name: [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: 2-furanylmethyl-methyl-[2-oxo-2-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]ethyl]ammonium IUPAC Name: [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [2-[4-(4-benzylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C25H32N4O2+2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CO1)CC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC=CO1)CC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-27(19-24-8-5-17-31-24)20-25(30)26-22-9-11-23(12-10-22)29-15-13-28(14-16-29)18-21-6-3-2-4-7-21/h2-12,17H,13-16,18-20H2,1H3,(H,26,30)/p+2