[3-[(2S)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-pyridin-3-yloxypropyl)azanium

Systemtic Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(3-pyridin-3-yloxypropyl)azanium Openeye Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-[3-(3-pyridyloxy)propyl]ammonium CAS Name: [3-[(2S)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]phenyl]methyl-[3-(3-pyridinyloxy)propyl]ammonium IUPAC Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-(3-pyridin-3-yloxypropyl)azanium Traditional Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-[3-(3-pyridyloxy)propyl]ammonium Formula: C24H37N3O3+2 MolecularWeight: 415.56888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(COC2=CC=CC(=C2)C[NH2+]CCCOC3=CN=CC=C3)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]CCCOC3=CN=CC=C3)O

InChI

InChI=1S/C24H35N3O3/c28-22(19-27-13-3-1-2-4-14-27)20-30-23-9-5-8-21(16-23)17-25-12-7-15-29-24-10-6-11-26-18-24/h5-6,8-11,16,18,22,25,28H,1-4,7,12-15,17,19-20H2/p+2/t22-/m0/s1