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

Systemtic Name: 3-[2-methoxy-5-[[(3-methylthiophen-2-yl)carbonyl-(pyridin-3-ylmethyl)amino]methyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-methoxy-5-[[(3-methylthiophene-2-carbonyl)-(3-pyridylmethyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-methoxy-5-[[[(3-methyl-2-thiophenyl)-oxomethyl]-(3-pyridinylmethyl)amino]methyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-methoxy-5-[[(3-methylthiophene-2-carbonyl)-(pyridin-3-ylmethyl)amino]methyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[2-methoxy-5-[[(3-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=C(SC=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OCCC[NH+](C)C)CC3=CN=CC=C3

Isomeric SMILES

CC1=C(SC=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OCCC[NH+](C)C)CC3=CN=CC=C3

InChI

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