N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenyl-ethyl]-1-oxidanidyl-pyridin-1-ium-2-carboxamide

Systemtic Name: N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenyl-ethyl]-1-oxidanidyl-pyridin-1-ium-2-carboxamide Openeye Name: N-[2-[(2,6-diisopropylphenyl)carbamoylamino]-1-phenyl-ethyl]-1-oxido-pyridin-1-ium-2-carboxamide CAS Name: N-[2-[[[2,6-di(propan-2-yl)anilino]-oxomethyl]amino]-1-phenylethyl]-1-oxido-2-pyridin-1-iumcarboxamide IUPAC Name: N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]-1-oxidopyridin-1-ium-2-carboxamide Traditional Name: N-[2-[(2,6-diisopropylphenyl)carbamoylamino]-1-phenyl-ethyl]-1-oxido-pyridin-1-ium-2-carboxamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(C2=CC=CC=C2)NC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(C2=CC=CC=C2)NC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C27H32N4O3/c1-18(2)21-13-10-14-22(19(3)4)25(21)30-27(33)28-17-23(20-11-6-5-7-12-20)29-26(32)24-15-8-9-16-31(24)34/h5-16,18-19,23H,17H2,1-4H3,(H,29,32)(H2,28,30,33)