[4-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,4-diazepan-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,4-diazepan-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,4-diazepan-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,4-diazepan-4-ium-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,4-diazepan-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,4-diazepan-4-ium-1-yl]-(2-thienyl)methanone Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(C[NH+]2CCCN(CC2)C(=O)C3=CC=CS3)O

Isomeric SMILES

COC1=CC=C(C=C1)OC[C@@H](C[NH+]2CCCN(CC2)C(=O)C3=CC=CS3)O

InChI

InChI=1S/C20H26N2O4S/c1-25-17-5-7-18(8-6-17)26-15-16(23)14-21-9-3-10-22(12-11-21)20(24)19-4-2-13-27-19/h2,4-8,13,16,23H,3,9-12,14-15H2,1H3/p+1/t16-/m1/s1