2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)amino]ethyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Openeye Name: 2-(2-chloro-4-nitro-anilino)ethyl-[[4-(2-thienylmethoxy)phenyl]methyl]ammonium CAS Name: 2-(2-chloro-4-nitroanilino)ethyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ammonium IUPAC Name: 2-(2-chloro-4-nitroanilino)ethyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Traditional Name: 2-(2-chloro-4-nitro-anilino)ethyl-[4-(2-thenyloxy)benzyl]ammonium Formula: C20H21ClN3O3S+ MolecularWeight: 418.91704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)COC2=CC=C(C=C2)C[NH2+]CCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CSC(=C1)COC2=CC=C(C=C2)C[NH2+]CCNC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20ClN3O3S/c21-19-12-16(24(25)26)5-8-20(19)23-10-9-22-13-15-3-6-17(7-4-15)27-14-18-2-1-11-28-18/h1-8,11-12,22-23H,9-10,13-14H2/p+1