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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]phenyl]methyl-(1-phenylpiperidin-4-yl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-(1-phenyl-4-piperidyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-(1-phenyl-4-piperidinyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-(1-phenylpiperidin-4-yl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-(1-phenyl-4-piperidyl)ammonium Formula: C26H39N3O3+2 MolecularWeight: 441.60616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]C2CCN(CC2)C3=CC=CC=C3)OCC(C[NH+]4CCCC4)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]C2CCN(CC2)C3=CC=CC=C3)OC[C@@H](C[NH+]4CCCC4)O

InChI

InChI=1S/C26H37N3O3/c1-31-25-10-9-21(17-26(25)32-20-24(30)19-28-13-5-6-14-28)18-27-22-11-15-29(16-12-22)23-7-3-2-4-8-23/h2-4,7-10,17,22,24,27,30H,5-6,11-16,18-20H2,1H3/p+2/t24-/m1/s1