phenacyl 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: phenacyl 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: phenacyl 2-(4-benzhydrylpiperazin-1-ium-1-yl)acetate CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]acetic acid phenacyl ester IUPAC Name: phenacyl 2-(4-benzhydrylpiperazin-1-ium-1-yl)acetate Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)acetic acid phenacyl ester Formula: C27H29N2O3+ MolecularWeight: 429.53076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)OCC(=O)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)OCC(=O)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3/c30-25(22-10-4-1-5-11-22)21-32-26(31)20-28-16-18-29(19-17-28)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,27H,16-21H2/p+1