3-[2-methoxy-5-[[pyridin-3-ylmethyl(thiophen-2-ylcarbonyl)amino]methyl]phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[2-methoxy-5-[[pyridin-3-ylmethyl(thiophen-2-ylcarbonyl)amino]methyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-methoxy-5-[[3-pyridylmethyl(thiophene-2-carbonyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-methoxy-5-[[[oxo(thiophen-2-yl)methyl]-(3-pyridinylmethyl)amino]methyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-methoxy-5-[[pyridin-3-ylmethyl(thiophene-2-carbonyl)amino]methyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[2-methoxy-5-[[3-pyridylmethyl(2-thenoyl)amino]methyl]phenoxy]propyl-dimethyl-ammonium Formula: C24H30N3O3S+ MolecularWeight: 440.5783

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=CC(=C1)CN(CC2=CN=CC=C2)C(=O)C3=CC=CS3)OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=CC(=C1)CN(CC2=CN=CC=C2)C(=O)C3=CC=CS3)OC

InChI

InChI=1S/C24H29N3O3S/c1-26(2)12-6-13-30-22-15-19(9-10-21(22)29-3)17-27(18-20-7-4-11-25-16-20)24(28)23-8-5-14-31-23/h4-5,7-11,14-16H,6,12-13,17-18H2,1-3H3/p+1