3-[4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoylamino]propyl-tert-butyl-azanium

Systemtic Name: 3-[4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]butanoylamino]propyl-tert-butyl-azanium Openeye Name: tert-butyl-[3-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]propyl]ammonium CAS Name: tert-butyl-[3-[[4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-1-oxobutyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]propyl]azanium Traditional Name: tert-butyl-[3-[4-(1,3-diketobenzo[de]isoquinolin-2-yl)butanoylamino]propyl]ammonium Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

InChI

InChI=1S/C23H29N3O3/c1-23(2,3)25-14-7-13-24-19(27)12-6-15-26-21(28)17-10-4-8-16-9-5-11-18(20(16)17)22(26)29/h4-5,8-11,25H,6-7,12-15H2,1-3H3,(H,24,27)/p+1