tert-butyl N-[3-[[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]carbamoyl]phenyl]carbamate CAS Name: N-[3-[[[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]amino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C19H29N4O4+ MolecularWeight: 377.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NC2CC[NH+](CC2)CC(=O)N

InChI

InChI=1S/C19H28N4O4/c1-19(2,3)27-18(26)22-15-6-4-5-13(11-15)17(25)21-14-7-9-23(10-8-14)12-16(20)24/h4-6,11,14H,7-10,12H2,1-3H3,(H2,20,24)(H,21,25)(H,22,26)/p+1