methyl 2-oxidanyl-5-[(4-phenylpiperazine-1,4-diium-1-yl)methyl]benzoate

Systemtic Name: methyl 2-oxidanyl-5-[(4-phenylpiperazine-1,4-diium-1-yl)methyl]benzoate Openeye Name: methyl 2-hydroxy-5-[(4-phenylpiperazine-1,4-diium-1-yl)methyl]benzoate CAS Name: 2-hydroxy-5-[(4-phenyl-1-piperazine-1,4-diiumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[(4-phenylpiperazine-1,4-diium-1-yl)methyl]benzoate Traditional Name: 2-hydroxy-5-[(4-phenylpiperazine-1,4-diium-1-yl)methyl]benzoic acid methyl ester Formula: C19H24N2O3+2 MolecularWeight: 328.40546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C[NH+]2CC[NH+](CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C19H22N2O3/c1-24-19(23)17-13-15(7-8-18(17)22)14-20-9-11-21(12-10-20)16-5-3-2-4-6-16/h2-8,13,22H,9-12,14H2,1H3/p+2