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2-[[5-(dimethylamino)-2-methyl-4-nitro-phenyl]amino]ethyl-diethyl-methyl-azanium; methyl sulfate

2-[[5-(dimethylamino)-2-methyl-4-nitro-phenyl]amino]ethyl-diethyl-methyl-azanium; methyl sulfate

Systemtic Name:2-[[5-(dimethylamino)-2-methyl-4-nitro-phenyl]amino]ethyl-diethyl-methyl-azanium; methyl sulfate
Openeye Name:2-[5-(dimethylamino)-2-methyl-4-nitro-anilino]ethyl-diethyl-methyl-ammonium; methyl sulfate
CAS Name:2-[5-(dimethylamino)-2-methyl-4-nitroanilino]ethyl-diethyl-methylammonium; methyl sulfate
IUPAC Name:2-[5-(dimethylamino)-2-methyl-4-nitroanilino]ethyl-diethyl-methylazanium; methyl sulfate
Traditional Name:2-[5-(dimethylamino)-2-methyl-4-nitro-anilino]ethyl-diethyl-methyl-ammonium; methyl sulfate
Formula: C17H32N4O6S
MolecularWeight: 420.52418
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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCNC1=CC(=C(C=C1C)[N+](=O)[O-])N(C)C.COS(=O)(=O)[O-]


Isomeric SMILES

CC[N+](C)(CC)CCNC1=CC(=C(C=C1C)[N+](=O)[O-])N(C)C.COS(=O)(=O)[O-]


InChI

InChI=1S/C16H29N4O2.CH4O4S/c1-7-20(6,8-2)10-9-17-14-12-15(18(4)5)16(19(21)22)11-13(14)3;1-5-6(2,3)4/h11-12,17H,7-10H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1


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