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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl]azanium Openeye Name: (2-amino-2-oxo-ethyl)-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: (2-amino-2-oxoethyl)-[[3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: (2-amino-2-oxoethyl)-[[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: (2-amino-2-keto-ethyl)-[3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]ammonium Formula: C18H31N3O4+2 MolecularWeight: 353.45644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC(=O)N)OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC(=O)N)OC[C@@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C18H29N3O4/c1-24-16-6-5-14(10-20-11-18(19)23)9-17(16)25-13-15(22)12-21-7-3-2-4-8-21/h5-6,9,15,20,22H,2-4,7-8,10-13H2,1H3,(H2,19,23)/p+2/t15-/m1/s1