N-[2,6-di(propan-2-yl)phenyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(2,6-diisopropylphenyl)acetamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-(2,6-diisopropylphenyl)acetamide Formula: C25H36N3O+ MolecularWeight: 394.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H35N3O/c1-19(2)22-11-8-12-23(20(3)4)25(22)26-24(29)18-28-15-13-27(14-16-28)17-21-9-6-5-7-10-21/h5-12,19-20H,13-18H2,1-4H3,(H,26,29)/p+1