dimethyl-[2-[4-(3-oxidanylidene-1,4-benzoxazin-4-yl)butanoyl-(phenylmethyl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[4-(3-oxidanylidene-1,4-benzoxazin-4-yl)butanoyl-(phenylmethyl)amino]ethyl]azanium Openeye Name: 2-[benzyl-[4-(3-oxo-1,4-benzoxazin-4-yl)butanoyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[1-oxo-4-(3-oxo-1,4-benzoxazin-4-yl)butyl]-(phenylmethyl)amino]ethyl]ammonium IUPAC Name: 2-[benzyl-[4-(3-oxo-1,4-benzoxazin-4-yl)butanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[4-(3-keto-1,4-benzoxazin-4-yl)butanoyl]amino]ethyl-dimethyl-ammonium Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)CCCN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)CCCN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C23H29N3O3/c1-24(2)15-16-25(17-19-9-4-3-5-10-19)22(27)13-8-14-26-20-11-6-7-12-21(20)29-18-23(26)28/h3-7,9-12H,8,13-18H2,1-2H3/p+1