3-[2-methoxy-5-[[(5-methylthiophen-2-yl)carbonyl-(pyridin-3-ylmethyl)amino]methyl]phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[2-methoxy-5-[[(5-methylthiophen-2-yl)carbonyl-(pyridin-3-ylmethyl)amino]methyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-methoxy-5-[[(5-methylthiophene-2-carbonyl)-(3-pyridylmethyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-methoxy-5-[[[(5-methyl-2-thiophenyl)-oxomethyl]-(3-pyridinylmethyl)amino]methyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-methoxy-5-[[(5-methylthiophene-2-carbonyl)-(pyridin-3-ylmethyl)amino]methyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[2-methoxy-5-[[(5-methylthiophene-2-carbonyl)-(3-pyridylmethyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium Formula: C25H32N3O3S+ MolecularWeight: 454.60488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N(CC2=CC(=C(C=C2)OC)OCCC[NH+](C)C)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)N(CC2=CC(=C(C=C2)OC)OCCC[NH+](C)C)CC3=CN=CC=C3

InChI

InChI=1S/C25H31N3O3S/c1-19-8-11-24(32-19)25(29)28(18-21-7-5-12-26-16-21)17-20-9-10-22(30-4)23(15-20)31-14-6-13-27(2)3/h5,7-12,15-16H,6,13-14,17-18H2,1-4H3/p+1