[3-azanyl-4-[(5-ethyl-3-methoxycarbonyl-thiophen-2-yl)amino]phenyl]-dimethyl-sulfino-azanium

Systemtic Name: [3-azanyl-4-[(5-ethyl-3-methoxycarbonyl-thiophen-2-yl)amino]phenyl]-dimethyl-sulfino-azanium Openeye Name: [3-amino-4-[(5-ethyl-3-methoxycarbonyl-2-thienyl)amino]phenyl]-dimethyl-sulfino-ammonium CAS Name: [3-amino-4-[(5-ethyl-3-methoxycarbonyl-2-thiophenyl)amino]phenyl]-dimethyl-sulfinoammonium IUPAC Name: [3-amino-4-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]phenyl]-dimethyl-sulfinoazanium Traditional Name: [3-amino-4-[(3-carbomethoxy-5-ethyl-2-thienyl)amino]phenyl]-dimethyl-sulfino-ammonium Formula: C16H22N3O4S2+ MolecularWeight: 384.49358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC2=C(C=C(C=C2)[N+](C)(C)S(=O)O)N)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC2=C(C=C(C=C2)[N+](C)(C)S(=O)O)N)C(=O)OC

InChI

InChI=1S/C16H21N3O4S2/c1-5-11-9-12(16(20)23-4)15(24-11)18-14-7-6-10(8-13(14)17)19(2,3)25(21)22/h6-9H,5,17H2,1-4H3,(H-,18,20,21,22)/p+1