4-[[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-ylidene]methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-[[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzoxazin-2-ylidene]methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[[3-oxo-4-(p-tolylmethyl)-1,4-benzoxazin-2-ylidene]methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-2-ylidene]methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-[[3-keto-4-(4-methylbenzyl)-1,4-benzoxazin-2-ylidene]methyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C31H34N3O3+ MolecularWeight: 496.61996

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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+]5CCCC5)C2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3OC(=CC4=CC=C(C=C4)C(=O)NCCC[NH+]5CCCC5)C2=O

InChI

InChI=1S/C31H33N3O3/c1-23-9-11-25(12-10-23)22-34-27-7-2-3-8-28(27)37-29(31(34)36)21-24-13-15-26(16-14-24)30(35)32-17-6-20-33-18-4-5-19-33/h2-3,7-16,21H,4-6,17-20,22H2,1H3,(H,32,35)/p+1