tert-butyl N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]carbamate CAS Name: N-[3-[[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]carbamate Traditional Name: N-[3-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3/c1-16-9-5-6-13-24(16)14-8-12-22-19(25)17-10-7-11-18(15-17)23-20(26)27-21(2,3)4/h7,10-11,15-16H,5-6,8-9,12-14H2,1-4H3,(H,22,25)(H,23,26)/p+1/t16-/m0/s1