2-[(9-azanyl-5-methyl-acridin-4-yl)carbonylamino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]azanium

Systemtic Name: 2-[(9-azanyl-5-methyl-acridin-4-yl)carbonylamino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]azanium Openeye Name: 2-[(9-amino-5-methyl-acridine-4-carbonyl)amino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]ammonium CAS Name: 2-[[(9-amino-5-methyl-4-acridinyl)-oxomethyl]amino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]ammonium IUPAC Name: 2-[(9-amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]azanium Traditional Name: 2-[(9-amino-5-methyl-acridine-4-carbonyl)amino]ethyl-(4-mesylbenzyl)-dimethyl-ammonium Formula: C27H31N4O3S+ MolecularWeight: 491.62504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NCC[N+](C)(C)CC4=CC=C(C=C4)S(=O)(=O)C)N=C12)N

Isomeric SMILES

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NCC[N+](C)(C)CC4=CC=C(C=C4)S(=O)(=O)C)N=C12)N

InChI

InChI=1S/C27H30N4O3S/c1-18-7-5-8-21-24(28)22-9-6-10-23(26(22)30-25(18)21)27(32)29-15-16-31(2,3)17-19-11-13-20(14-12-19)35(4,33)34/h5-14H,15-17H2,1-4H3,(H2-,28,29,30,32)/p+1