2-acetamidoethyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium

Systemtic Name: 2-acetamidoethyl-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: 2-acetamidoethyl-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C20H35N3O4+2 MolecularWeight: 381.5096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH2+]CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

CC(=O)NCC[NH2+]CC1=CC(=C(C=C1)OC)OC[C@@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C20H33N3O4/c1-16(24)22-9-8-21-13-17-6-7-19(26-2)20(12-17)27-15-18(25)14-23-10-4-3-5-11-23/h6-7,12,18,21,25H,3-5,8-11,13-15H2,1-2H3,(H,22,24)/p+2/t18-/m1/s1