1-[2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-[[2-(tert-butylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-[[2-(tert-butylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H35N4O3+ MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=O)C[NH+]1CCC(CC1)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=O)C[NH+]1CCC(CC1)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H34N4O3/c1-22(2,3)24-19(27)15-25(4)20(28)16-26-12-10-18(11-13-26)21(29)23-14-17-8-6-5-7-9-17/h5-9,18H,10-16H2,1-4H3,(H,23,29)(H,24,27)/p+1