1-(4-carbamimidoylphenyl)-3-[2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]amino]phenyl]urea

Systemtic Name: 1-(4-carbamimidoylphenyl)-3-[2-[[1-(phenylmethyl)pyridin-1-ium-4-yl]amino]phenyl]urea Openeye Name: 1-[2-[(1-benzylpyridin-1-ium-4-yl)amino]phenyl]-3-(4-carbamimidoylphenyl)urea CAS Name: 1-(4-carbamimidoylphenyl)-3-[2-[[1-(phenylmethyl)-4-pyridin-1-iumyl]amino]phenyl]urea IUPAC Name: 1-[2-[(1-benzylpyridin-1-ium-4-yl)amino]phenyl]-3-(4-carbamimidoylphenyl)urea Traditional Name: 1-(4-amidinophenyl)-3-[2-[(1-benzylpyridin-1-ium-4-yl)amino]phenyl]urea Formula: C26H25N6O+ MolecularWeight: 437.5163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)NC3=CC=CC=C3NC(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)NC3=CC=CC=C3NC(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H24N6O/c27-25(28)20-10-12-21(13-11-20)30-26(33)31-24-9-5-4-8-23(24)29-22-14-16-32(17-15-22)18-19-6-2-1-3-7-19/h1-17H,18H2,(H5,27,28,30,31,33)/p+1