4-(3-piperazin-4-ium-1-ylphenyl)carbonylpiperazine-1-carbaldehyde

Systemtic Name: 4-(3-piperazin-4-ium-1-ylphenyl)carbonylpiperazine-1-carbaldehyde Openeye Name: 4-(3-piperazin-4-ium-1-ylbenzoyl)piperazine-1-carbaldehyde CAS Name: 4-[oxo-[3-(1-piperazin-4-iumyl)phenyl]methyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-(3-piperazin-4-ium-1-ylbenzoyl)piperazine-1-carbaldehyde Traditional Name: 4-(3-piperazin-4-ium-1-ylbenzoyl)piperazine-1-carbaldehyde Formula: C16H23N4O2+ MolecularWeight: 303.37942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C=O

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C=O

InChI

InChI=1S/C16H22N4O2/c21-13-18-8-10-20(11-9-18)16(22)14-2-1-3-15(12-14)19-6-4-17-5-7-19/h1-3,12-13,17H,4-11H2/p+1