N-[1-[(1-azanyl-1-oxidanylidene-propan-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-1-(phenylmethyl)pyridin-1-ium-3-carboxamide bromide

Systemtic Name: N-[1-[(1-azanyl-1-oxidanylidene-propan-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-1-(phenylmethyl)pyridin-1-ium-3-carboxamide bromide Openeye Name: N-[1-[(2-amino-1-methyl-2-oxo-ethyl)carbamoyl]-2-methyl-propyl]-1-benzyl-pyridin-1-ium-3-carboxamide bromide CAS Name: N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-(phenylmethyl)-3-pyridin-1-iumcarboxamide bromide IUPAC Name: N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-1-benzylpyridin-1-ium-3-carboxamide bromide Traditional Name: N-[1-[(2-amino-2-keto-1-methyl-ethyl)carbamoyl]-2-methyl-propyl]-1-benzyl-pyridin-1-ium-3-carboxamide bromide Formula: C21H27BrN4O3 MolecularWeight: 463.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)N)NC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)N)NC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C21H26N4O3.BrH/c1-14(2)18(21(28)23-15(3)19(22)26)24-20(27)17-10-7-11-25(13-17)12-16-8-5-4-6-9-16;/h4-11,13-15,18H,12H2,1-3H3,(H3-,22,23,24,26,27,28);1H