6-chloranyl-3-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-yl-quinolin-1-ium

Systemtic Name: 6-chloranyl-3-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-yl-quinolin-1-ium Openeye Name: 6-chloro-3-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-yl-quinolin-1-ium CAS Name: 6-chloro-3-(4-methoxyphenyl)sulfonyl-4-(1-pyrrolidinyl)quinolin-1-ium IUPAC Name: 6-chloro-3-(4-methoxyphenyl)sulfonyl-4-pyrrolidin-1-ylquinolin-1-ium Traditional Name: 6-chloro-3-(4-methoxyphenyl)sulfonyl-4-pyrrolidino-quinolin-1-ium Formula: C20H20ClN2O3S+ MolecularWeight: 403.9024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCC4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCCC4)Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-26-15-5-7-16(8-6-15)27(24,25)19-13-22-18-9-4-14(21)12-17(18)20(19)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3/p+1