3-[4-[1-[(4-bromophenyl)carbonyl-prop-2-enyl-amino]-2-(tert-butylamino)-2-oxidanylidene-ethyl]phenyl]carbonyloxypropyl-trimethyl-azanium

Systemtic Name: 3-[4-[1-[(4-bromophenyl)carbonyl-prop-2-enyl-amino]-2-(tert-butylamino)-2-oxidanylidene-ethyl]phenyl]carbonyloxypropyl-trimethyl-azanium Openeye Name: 3-[4-[1-[allyl-(4-bromobenzoyl)amino]-2-(tert-butylamino)-2-oxo-ethyl]benzoyl]oxypropyl-trimethyl-ammonium CAS Name: 3-[[4-[1-[[(4-bromophenyl)-oxomethyl]-prop-2-enylamino]-2-(tert-butylamino)-2-oxoethyl]phenyl]-oxomethoxy]propyl-trimethylammonium IUPAC Name: 3-[4-[1-[(4-bromobenzoyl)-prop-2-enylamino]-2-(tert-butylamino)-2-oxoethyl]benzoyl]oxypropyl-trimethylazanium Traditional Name: 3-[4-[1-[allyl-(4-bromobenzoyl)amino]-2-(tert-butylamino)-2-keto-ethyl]benzoyl]oxypropyl-trimethyl-ammonium Formula: C29H39BrN3O4+ MolecularWeight: 573.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)C(=O)OCCC[N+](C)(C)C)N(CC=C)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)C(=O)OCCC[N+](C)(C)C)N(CC=C)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C29H38BrN3O4/c1-8-18-32(27(35)22-14-16-24(30)17-15-22)25(26(34)31-29(2,3)4)21-10-12-23(13-11-21)28(36)37-20-9-19-33(5,6)7/h8,10-17,25H,1,9,18-20H2,2-7H3/p+1