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

Systemtic Name: ethyl 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-(4-benzhydrylpiperazin-1-ium-1-yl)acetate CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-benzhydrylpiperazin-1-ium-1-yl)acetate Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)acetic acid ethyl ester Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C[NH+]1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-2-25-20(24)17-22-13-15-23(16-14-22)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,21H,2,13-17H2,1H3/p+1