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

Systemtic Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-diethylaminoethyl)azanium Openeye Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(2-diethylaminoethyl)ammonium CAS Name: [4-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-diethylaminoethyl)ammonium IUPAC Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-diethylaminoethyl)azanium Traditional Name: [4-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(2-diethylaminoethyl)ammonium Formula: C23H43N3O3+2 MolecularWeight: 409.60582

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[NH2+]CC1=CC(=C(C=C1)OCC(C[NH+]2CCCCCC2)O)OC

Isomeric SMILES

CCN(CC)CC[NH2+]CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCCCCC2)O)OC

InChI

InChI=1S/C23H41N3O3/c1-4-25(5-2)15-12-24-17-20-10-11-22(23(16-20)28-3)29-19-21(27)18-26-13-8-6-7-9-14-26/h10-11,16,21,24,27H,4-9,12-15,17-19H2,1-3H3/p+2/t21-/m1/s1