4-[2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanoyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]ethanoyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[1-oxo-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]-2-piperazin-1-iumyl]ethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]acetyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[2-[(2R)-3-keto-1-(4-phenylbenzyl)piperazin-1-ium-2-yl]acetyl]-1,4-diazepane-1-carbaldehyde Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4)C=O

Isomeric SMILES

C1CN(CCN(C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C4=CC=CC=C4)C=O

InChI

InChI=1S/C25H30N4O3/c30-19-27-12-4-13-28(16-15-27)24(31)17-23-25(32)26-11-14-29(23)18-20-7-9-22(10-8-20)21-5-2-1-3-6-21/h1-3,5-10,19,23H,4,11-18H2,(H,26,32)/p+1/t23-/m1/s1