[2-oxidanylidene-2-[[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridin-2-yl]amino]ethyl]azanium

Systemtic Name: [2-oxidanylidene-2-[[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridin-2-yl]amino]ethyl]azanium Openeye Name: [2-[[5-(4-benzylpiperazin-4-ium-1-yl)-2-pyridyl]amino]-2-oxo-ethyl]ammonium CAS Name: [2-oxo-2-[[5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-pyridinyl]amino]ethyl]ammonium IUPAC Name: [2-[[5-(4-benzylpiperazin-4-ium-1-yl)pyridin-2-yl]amino]-2-oxoethyl]azanium Traditional Name: [2-[[5-(4-benzylpiperazin-4-ium-1-yl)-2-pyridyl]amino]-2-keto-ethyl]ammonium Formula: C18H25N5O+2 MolecularWeight: 327.424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CN=C(C=C3)NC(=O)C[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CN=C(C=C3)NC(=O)C[NH3+]

InChI

InChI=1S/C18H23N5O/c19-12-18(24)21-17-7-6-16(13-20-17)23-10-8-22(9-11-23)14-15-4-2-1-3-5-15/h1-7,13H,8-12,14,19H2,(H,20,21,24)/p+2