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

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-diethylaminoethyl)-methyl-azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(2-diethylaminoethyl)-methyl-ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-diethylaminoethyl)-methylammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-diethylaminoethyl)-methylazanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(2-diethylaminoethyl)-methyl-ammonium Formula: C25H47N3O3+2 MolecularWeight: 437.65898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[NH+](C)CC1=CC(=C(C=C1)OCC(C[NH+]2CCCCCCC2)O)OC

Isomeric SMILES

CCN(CC)CC[NH+](C)CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCCCCCC2)O)OC

InChI

InChI=1S/C25H45N3O3/c1-5-27(6-2)17-16-26(3)19-22-12-13-24(25(18-22)30-4)31-21-23(29)20-28-14-10-8-7-9-11-15-28/h12-13,18,23,29H,5-11,14-17,19-21H2,1-4H3/p+2/t23-/m1/s1