tert-butyl N-[4-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethylcarbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethylcarbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethylcarbamoyl]phenyl]carbamate CAS Name: N-[4-[[2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethylamino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethylcarbamoyl]phenyl]carbamate Traditional Name: N-[4-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethylcarbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C20H32N3O3+ MolecularWeight: 362.48638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCNC(=O)C2=CC=C(C=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCNC(=O)C2=CC=C(C=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O3/c1-15-7-5-6-13-23(15)14-12-21-18(24)16-8-10-17(11-9-16)22-19(25)26-20(2,3)4/h8-11,15H,5-7,12-14H2,1-4H3,(H,21,24)(H,22,25)/p+1/t15-/m0/s1