(2S)-1-[3-[(4-cyclopentyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]-3-morpholin-4-yl-propan-2-ol

Systemtic Name: (2S)-1-[3-[(4-cyclopentyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]-3-morpholin-4-yl-propan-2-ol Openeye Name: (2S)-1-[3-[(4-cyclopentyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]-3-morpholino-propan-2-ol CAS Name: (2S)-1-[3-[(4-cyclopentyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]-3-(4-morpholinyl)-2-propanol IUPAC Name: (2S)-1-[3-[(4-cyclopentyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol Traditional Name: (2S)-1-[3-[(4-cyclopentyl-1,4-diazepan-1-ium-1-yl)methyl]phenoxy]-3-morpholino-propan-2-ol Formula: C24H40N3O3+ MolecularWeight: 418.5927

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCC[NH+](CC2)CC3=CC(=CC=C3)OCC(CN4CCOCC4)O

Isomeric SMILES

C1CCC(C1)N2CCC[NH+](CC2)CC3=CC(=CC=C3)OC[C@H](CN4CCOCC4)O

InChI

InChI=1S/C24H39N3O3/c28-23(19-26-13-15-29-16-14-26)20-30-24-8-3-5-21(17-24)18-25-9-4-10-27(12-11-25)22-6-1-2-7-22/h3,5,8,17,22-23,28H,1-2,4,6-7,9-16,18-20H2/p+1/t23-/m0/s1