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

Systemtic Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(phenylmethyl)azanium Openeye Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-benzyl-methyl-ammonium CAS Name: [3-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]phenyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-benzyl-methylazanium Traditional Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-benzyl-methyl-ammonium Formula: C24H36N2O2+2 MolecularWeight: 384.55484

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC(=CC=C2)OCC(C[NH+]3CCCCCC3)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC(=CC=C2)OC[C@@H](C[NH+]3CCCCCC3)O

InChI

InChI=1S/C24H34N2O2/c1-25(17-21-10-5-4-6-11-21)18-22-12-9-13-24(16-22)28-20-23(27)19-26-14-7-2-3-8-15-26/h4-6,9-13,16,23,27H,2-3,7-8,14-15,17-20H2,1H3/p+2/t23-/m1/s1