[1-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]naphthalen-2-yl] 4-tert-butylbenzoate

Systemtic Name: [1-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]naphthalen-2-yl] 4-tert-butylbenzoate Openeye Name: [1-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]-2-naphthyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [1-[(S)-phenyl(1-piperidin-1-iumyl)methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]naphthalen-2-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [1-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]-2-naphthyl] ester Formula: C33H36NO2+ MolecularWeight: 478.64444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C(C4=CC=CC=C4)[NH+]5CCCCC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)[C@H](C4=CC=CC=C4)[NH+]5CCCCC5

InChI

InChI=1S/C33H35NO2/c1-33(2,3)27-19-16-26(17-20-27)32(35)36-29-21-18-24-12-8-9-15-28(24)30(29)31(25-13-6-4-7-14-25)34-22-10-5-11-23-34/h4,6-9,12-21,31H,5,10-11,22-23H2,1-3H3/p+1/t31-/m0/s1