(4-piperazin-4-ium-1-ylcarbonylphenyl)methylazanium

Systemtic Name: (4-piperazin-4-ium-1-ylcarbonylphenyl)methylazanium Openeye Name: [4-(piperazin-4-ium-1-carbonyl)phenyl]methylammonium CAS Name: [4-[oxo(1-piperazin-4-iumyl)methyl]phenyl]methylammonium IUPAC Name: [4-(piperazin-4-ium-1-carbonyl)phenyl]methylazanium Traditional Name: [4-(piperazin-4-ium-1-carbonyl)benzyl]ammonium Formula: C12H19N3O+2 MolecularWeight: 221.29876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C12H17N3O/c13-9-10-1-3-11(4-2-10)12(16)15-7-5-14-6-8-15/h1-4,14H,5-9,13H2/p+2