[3-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(2-piperidin-1-ylethyl)azanium

Systemtic Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(2-piperidin-1-ylethyl)azanium Openeye Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-methyl-[2-(1-piperidyl)ethyl]ammonium CAS Name: [3-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]phenyl]methyl-methyl-[2-(1-piperidinyl)ethyl]ammonium IUPAC Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-methyl-(2-piperidin-1-ylethyl)azanium Traditional Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-methyl-(2-piperidinoethyl)ammonium Formula: C24H43N3O2+2 MolecularWeight: 405.61712

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1CCCCC1)CC2=CC(=CC=C2)OCC(C[NH+]3CCCCCC3)O

Isomeric SMILES

C[NH+](CCN1CCCCC1)CC2=CC(=CC=C2)OC[C@@H](C[NH+]3CCCCCC3)O

InChI

InChI=1S/C24H41N3O2/c1-25(16-17-26-12-7-4-8-13-26)19-22-10-9-11-24(18-22)29-21-23(28)20-27-14-5-2-3-6-15-27/h9-11,18,23,28H,2-8,12-17,19-21H2,1H3/p+2/t23-/m1/s1