[3-oxidanylidene-3-[[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridin-2-yl]amino]propyl]azanium

Systemtic Name: [3-oxidanylidene-3-[[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyridin-2-yl]amino]propyl]azanium Openeye Name: [3-[[5-(4-benzylpiperazin-4-ium-1-yl)-2-pyridyl]amino]-3-oxo-propyl]ammonium CAS Name: [3-oxo-3-[[5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-pyridinyl]amino]propyl]ammonium IUPAC Name: [3-[[5-(4-benzylpiperazin-4-ium-1-yl)pyridin-2-yl]amino]-3-oxopropyl]azanium Traditional Name: [3-[[5-(4-benzylpiperazin-4-ium-1-yl)-2-pyridyl]amino]-3-keto-propyl]ammonium Formula: C19H27N5O+2 MolecularWeight: 341.45058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O/c20-9-8-19(25)22-18-7-6-17(14-21-18)24-12-10-23(11-13-24)15-16-4-2-1-3-5-16/h1-7,14H,8-13,15,20H2,(H,21,22,25)/p+2