tert-butyl N-[4-[2-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-oxidanylidene-ethyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[2-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-oxidanylidene-ethyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[2-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-oxo-ethyl]phenyl]carbamate CAS Name: N-[4-[2-[3-(4-methyl-1-piperidin-1-iumyl)propylamino]-2-oxoethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-2-oxoethyl]phenyl]carbamate Traditional Name: N-[4-[2-keto-2-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]ethyl]phenyl]carbamic acid tert-butyl ester Formula: C22H36N3O3+ MolecularWeight: 390.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)CC2=CC=C(C=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)CC2=CC=C(C=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H35N3O3/c1-17-10-14-25(15-11-17)13-5-12-23-20(26)16-18-6-8-19(9-7-18)24-21(27)28-22(2,3)4/h6-9,17H,5,10-16H2,1-4H3,(H,23,26)(H,24,27)/p+1