methyl-[3-[[4-[[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-ylidene]methyl]phenyl]carbonylamino]propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-[[4-[[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-ylidene]methyl]phenyl]carbonylamino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[[4-[[3-oxo-4-(p-tolylmethyl)-1,4-benzoxazin-2-ylidene]methyl]benzoyl]amino]propyl]ammonium CAS Name: methyl-[3-[[[4-[[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]phenyl]-oxomethyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[[4-[[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]benzoyl]amino]propyl]azanium Traditional Name: benzyl-[3-[[4-[[3-keto-4-(4-methylbenzyl)-1,4-benzoxazin-2-ylidene]methyl]benzoyl]amino]propyl]-methyl-ammonium Formula: C35H36N3O3+ MolecularWeight: 546.67864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3OC(=CC4=CC=C(C=C4)C(=O)NCCC[NH+](C)CC5=CC=CC=C5)C2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3OC(=CC4=CC=C(C=C4)C(=O)NCCC[NH+](C)CC5=CC=CC=C5)C2=O

InChI

InChI=1S/C35H35N3O3/c1-26-13-15-29(16-14-26)25-38-31-11-6-7-12-32(31)41-33(35(38)40)23-27-17-19-30(20-18-27)34(39)36-21-8-22-37(2)24-28-9-4-3-5-10-28/h3-7,9-20,23H,8,21-22,24-25H2,1-2H3,(H,36,39)/p+1