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

Systemtic Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-methyl-(2-pyrrolidin-1-ylethyl)azanium Openeye Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-methyl-(2-pyrrolidin-1-ylethyl)ammonium CAS Name: [3-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-methyl-[2-(1-pyrrolidinyl)ethyl]ammonium IUPAC Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-methyl-(2-pyrrolidin-1-ylethyl)azanium Traditional Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-methyl-(2-pyrrolidinoethyl)ammonium Formula: C25H45N3O3+2 MolecularWeight: 435.6431

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1CCCC1)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

C[NH+](CCN1CCCC1)CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C25H43N3O3/c1-26(16-17-27-12-8-9-13-27)19-22-10-11-24(30-2)25(18-22)31-21-23(29)20-28-14-6-4-3-5-7-15-28/h10-11,18,23,29H,3-9,12-17,19-21H2,1-2H3/p+2/t23-/m1/s1