[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-[(4-nitrophenyl)amino]ethyl]azanium

Systemtic Name: [3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-[(4-nitrophenyl)amino]ethyl]azanium Openeye Name: [3-methoxy-4-(2-thienylmethoxy)phenyl]methyl-[2-(4-nitroanilino)ethyl]ammonium CAS Name: [3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-nitroanilino)ethyl]ammonium IUPAC Name: [3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[2-(4-nitroanilino)ethyl]azanium Traditional Name: [3-methoxy-4-(2-thenyloxy)benzyl]-[2-(4-nitroanilino)ethyl]ammonium Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCNC2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCNC2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=CS3

InChI

InChI=1S/C21H23N3O4S/c1-27-21-13-16(4-9-20(21)28-15-19-3-2-12-29-19)14-22-10-11-23-17-5-7-18(8-6-17)24(25)26/h2-9,12-13,22-23H,10-11,14-15H2,1H3/p+1