[4-(3-azanylpropoxy)phenyl]-[4-(2-oxidanylidene-1,2-benzoxazin-2-ium-3-yl)piperidin-1-yl]methanone

Systemtic Name: [4-(3-azanylpropoxy)phenyl]-[4-(2-oxidanylidene-1,2-benzoxazin-2-ium-3-yl)piperidin-1-yl]methanone Openeye Name: [4-(3-aminopropoxy)phenyl]-[4-(2-oxo-1,2-benzoxazin-2-ium-3-yl)-1-piperidyl]methanone CAS Name: [4-(3-aminopropoxy)phenyl]-[4-(2-oxo-1,2-benzoxazin-2-ium-3-yl)-1-piperidinyl]methanone IUPAC Name: [4-(3-aminopropoxy)phenyl]-[4-(2-oxo-1,2-benzoxazin-2-ium-3-yl)piperidin-1-yl]methanone Traditional Name: [4-(3-aminopropoxy)phenyl]-[4-(2-keto-1,2-benzoxazin-2-ium-3-yl)piperidino]methanone Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=CC=CC=C3O[N+]2=O)C(=O)C4=CC=C(C=C4)OCCCN

Isomeric SMILES

C1CN(CCC1C2=CC3=CC=CC=C3O[N+]2=O)C(=O)C4=CC=C(C=C4)OCCCN

InChI

InChI=1S/C23H26N3O4/c24-12-3-15-29-20-8-6-18(7-9-20)23(27)25-13-10-17(11-14-25)21-16-19-4-1-2-5-22(19)30-26(21)28/h1-2,4-9,16-17H,3,10-15,24H2/q+1