tert-butyl N-[2-[2-azanyl-1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-1-yl]-2-oxidanylidene-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[2-azanyl-1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-1-yl]-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-[2-amino-1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-1-yl]-2-oxo-ethyl]carbamate CAS Name: N-[2-[2-amino-1-[(4-chlorophenyl)methyl]-1-pyrrolidin-1-iumyl]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[2-amino-1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-1-yl]-2-oxoethyl]carbamate Traditional Name: N-[2-[2-amino-1-(4-chlorobenzyl)pyrrolidin-1-ium-1-yl]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C18H27ClN3O3+ MolecularWeight: 368.87828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)[N+]1(CCCC1N)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)[N+]1(CCCC1N)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H26ClN3O3/c1-18(2,3)25-17(24)21-11-16(23)22(10-4-5-15(22)20)12-13-6-8-14(19)9-7-13/h6-9,15H,4-5,10-12,20H2,1-3H3/p+1