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

Systemtic Name: N-[1-[(1-azanyl-1-oxidanylidene-propan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(phenylmethyl)pyridin-1-ium-3-carboxamide bromide Openeye Name: N-[2-[(2-amino-1-methyl-2-oxo-ethyl)amino]-1-benzyl-2-oxo-ethyl]-1-benzyl-pyridin-1-ium-3-carboxamide bromide CAS Name: N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1-(phenylmethyl)-3-pyridin-1-iumcarboxamide bromide IUPAC Name: N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-1-benzylpyridin-1-ium-3-carboxamide bromide Traditional Name: N-[2-[(2-amino-2-keto-1-methyl-ethyl)amino]-1-benzyl-2-keto-ethyl]-1-benzyl-pyridin-1-ium-3-carboxamide bromide Formula: C25H27BrN4O3 MolecularWeight: 511.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C[N+](=CC=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C[N+](=CC=C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C25H26N4O3.BrH/c1-18(23(26)30)27-25(32)22(15-19-9-4-2-5-10-19)28-24(31)21-13-8-14-29(17-21)16-20-11-6-3-7-12-20;/h2-14,17-18,22H,15-16H2,1H3,(H3-,26,27,28,30,31,32);1H