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

Systemtic Name: N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenyl-ethyl]-1-oxidanidyl-quinolin-1-ium-2-carboxamide Openeye Name: N-[2-[(2,6-diisopropylphenyl)carbamoylamino]-1-phenyl-ethyl]-1-oxido-quinolin-1-ium-2-carboxamide CAS Name: N-[2-[[[2,6-di(propan-2-yl)anilino]-oxomethyl]amino]-1-phenylethyl]-1-oxido-2-quinolin-1-iumcarboxamide IUPAC Name: N-[2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-1-phenylethyl]-1-oxidoquinolin-1-ium-2-carboxamide Traditional Name: N-[2-[(2,6-diisopropylphenyl)carbamoylamino]-1-phenyl-ethyl]-1-oxido-quinolin-1-ium-2-carboxamide Formula: C31H34N4O3 MolecularWeight: 510.62666

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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=[N+](C4=CC=CC=C4C=C3)[O-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC(C2=CC=CC=C2)NC(=O)C3=[N+](C4=CC=CC=C4C=C3)[O-]

InChI

InChI=1S/C31H34N4O3/c1-20(2)24-14-10-15-25(21(3)4)29(24)34-31(37)32-19-26(22-11-6-5-7-12-22)33-30(36)28-18-17-23-13-8-9-16-27(23)35(28)38/h5-18,20-21,26H,19H2,1-4H3,(H,33,36)(H2,32,34,37)