N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-methyl-benzamide

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-methyl-benzamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-methyl-benzamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-piperidin-1-iumyl)ethyl]-4-methylbenzamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ium-1-ylethyl]-4-methylbenzamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-methyl-benzamide Formula: C25H35N2O+ MolecularWeight: 379.5582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)C(C)(C)C)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)C(C)(C)C)[NH+]3CCCCC3

InChI

InChI=1S/C25H34N2O/c1-19-8-10-21(11-9-19)24(28)26-18-23(27-16-6-5-7-17-27)20-12-14-22(15-13-20)25(2,3)4/h8-15,23H,5-7,16-18H2,1-4H3,(H,26,28)/p+1/t23-/m0/s1