[3-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-ethyl-(4-pyridylmethyl)ammonium CAS Name: [3-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]phenyl]methyl-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C24H37N3O2+2 MolecularWeight: 399.56948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O2/c1-2-26(17-21-10-12-25-13-11-21)18-22-8-7-9-24(16-22)29-20-23(28)19-27-14-5-3-4-6-15-27/h7-13,16,23,28H,2-6,14-15,17-20H2,1H3/p+2/t23-/m1/s1