tert-butyl N-[2-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methylamino]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methylamino]-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methylamino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[[4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]methylamino]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]carbamate Traditional Name: N-[2-keto-2-[[4-[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]amino]ethyl]carbamic acid tert-butyl ester Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)NCC1=CC=C(C=C1)CN2C=C[N+](=C2)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)NCC1=CC=C(C=C1)CN2C=C[N+](=C2)C

InChI

InChI=1S/C19H26N4O3/c1-19(2,3)26-18(25)21-12-17(24)20-11-15-5-7-16(8-6-15)13-23-10-9-22(4)14-23/h5-10,14H,11-13H2,1-4H3,(H-,20,21,24,25)/p+1