(4-dimethylaminophenyl)methyl-ethyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-ethyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-ethyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-ethyl-[2-[(3-methoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-ethyl-[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]azanium Traditional Name: [2-[(3-carbomethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]-[4-(dimethylamino)benzyl]-ethyl-ammonium Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)OC

InChI

InChI=1S/C21H29N3O3S/c1-7-24(12-16-8-10-17(11-9-16)23(4)5)13-18(25)22-20-19(21(26)27-6)14(2)15(3)28-20/h8-11H,7,12-13H2,1-6H3,(H,22,25)/p+1