4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-[(2-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-[(2-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-(tert-butylamino)-2-oxo-ethyl]-N-[(2-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[2-(tert-butylamino)-2-oxoethyl]-N-[(2-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-(tert-butylamino)-2-keto-ethyl]-N-(2-chlorobenzyl)piperazin-4-ium-1-carboxamide Formula: C18H28ClN4O2+ MolecularWeight: 367.89352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)NCC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)NCC2=CC=CC=C2Cl

InChI

InChI=1S/C18H27ClN4O2/c1-18(2,3)21-16(24)13-22-8-10-23(11-9-22)17(25)20-12-14-6-4-5-7-15(14)19/h4-7H,8-13H2,1-3H3,(H,20,25)(H,21,24)/p+1