1-[4-[[4-(3-pyrrolidin-1-ylcarbonylphenoxy)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[4-(3-pyrrolidin-1-ylcarbonylphenoxy)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[4-[3-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[4-[3-[oxo(1-pyrrolidinyl)methyl]phenoxy]-1-piperidin-1-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[4-[3-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[4-[3-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]-2-thienyl]ethanone Formula: C23H29N2O3S+ MolecularWeight: 413.55296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC(CC2)OC3=CC=CC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C23H28N2O3S/c1-17(26)22-13-18(16-29-22)15-24-11-7-20(8-12-24)28-21-6-4-5-19(14-21)23(27)25-9-2-3-10-25/h4-6,13-14,16,20H,2-3,7-12,15H2,1H3/p+1