butyl-[[4-methoxy-3-[(2R)-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]-methyl-azanium

Systemtic Name: butyl-[[4-methoxy-3-[(2R)-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]-methyl-azanium Openeye Name: butyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl]-methyl-ammonium CAS Name: butyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]-methylammonium IUPAC Name: butyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]-methylazanium Traditional Name: butyl-[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-benzyl]-methyl-ammonium Formula: C22H41N3O3+2 MolecularWeight: 395.57924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCN(CC2)C)O

Isomeric SMILES

CCCC[NH+](C)CC1=CC(=C(C=C1)OC)OC[C@@H](C[NH+]2CCCN(CC2)C)O

InChI

InChI=1S/C22H39N3O3/c1-5-6-10-24(3)16-19-8-9-21(27-4)22(15-19)28-18-20(26)17-25-12-7-11-23(2)13-14-25/h8-9,15,20,26H,5-7,10-14,16-18H2,1-4H3/p+2/t20-/m1/s1