(7-methoxy-2-thiomorpholin-4-yl-quinolin-1-ium-3-yl)methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: (7-methoxy-2-thiomorpholin-4-yl-quinolin-1-ium-3-yl)methyl-(thiophen-3-ylmethyl)azanium Openeye Name: (7-methoxy-2-thiomorpholino-quinolin-1-ium-3-yl)methyl-(3-thienylmethyl)ammonium CAS Name: (7-methoxy-2-thiomorpholin-4-yl-3-quinolin-1-iumyl)methyl-(3-thiophenylmethyl)ammonium IUPAC Name: (7-methoxy-2-thiomorpholin-4-ylquinolin-1-ium-3-yl)methyl-(thiophen-3-ylmethyl)azanium Traditional Name: (7-methoxy-2-thiomorpholino-quinolin-1-ium-3-yl)methyl-(3-thenyl)ammonium Formula: C20H25N3OS2+2 MolecularWeight: 387.562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]CC3=CSC=C3)N4CCSCC4

Isomeric SMILES

COC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]CC3=CSC=C3)N4CCSCC4

InChI

InChI=1S/C20H23N3OS2/c1-24-18-3-2-16-10-17(13-21-12-15-4-7-26-14-15)20(22-19(16)11-18)23-5-8-25-9-6-23/h2-4,7,10-11,14,21H,5-6,8-9,12-13H2,1H3/p+2