2-(acridin-4-ylcarbonylamino)ethyl-dimethyl-[(5-nitrothiophen-2-yl)methyl]azanium

Systemtic Name: 2-(acridin-4-ylcarbonylamino)ethyl-dimethyl-[(5-nitrothiophen-2-yl)methyl]azanium Openeye Name: 2-(acridine-4-carbonylamino)ethyl-dimethyl-[(5-nitro-2-thienyl)methyl]ammonium CAS Name: 2-[[4-acridinyl(oxo)methyl]amino]ethyl-dimethyl-[(5-nitro-2-thiophenyl)methyl]ammonium IUPAC Name: 2-(acridine-4-carbonylamino)ethyl-dimethyl-[(5-nitrothiophen-2-yl)methyl]azanium Traditional Name: 2-(acridine-4-carbonylamino)ethyl-dimethyl-[(5-nitro-2-thienyl)methyl]ammonium Formula: C23H23N4O3S+ MolecularWeight: 435.51872

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21)CC4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21)CC4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O3S/c1-27(2,15-18-10-11-21(31-18)26(29)30)13-12-24-23(28)19-8-5-7-17-14-16-6-3-4-9-20(16)25-22(17)19/h3-11,14H,12-13,15H2,1-2H3/p+1