2-methoxyethyl-[[4-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]-propan-2-yl-azanium

Systemtic Name: 2-methoxyethyl-[[4-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]-propan-2-yl-azanium Openeye Name: [4-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]phenyl]methyl-isopropyl-(2-methoxyethyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]phenyl]methyl-(2-methoxyethyl)-propan-2-ylammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]phenyl]methyl-(2-methoxyethyl)-propan-2-ylazanium Traditional Name: [4-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]benzyl]-isopropyl-(2-methoxyethyl)ammonium Formula: C21H39N3O3+2 MolecularWeight: 381.55266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCOC)CC1=CC=C(C=C1)OCC(CN2CC[NH+](CC2)C)O

Isomeric SMILES

CC(C)[NH+](CCOC)CC1=CC=C(C=C1)OC[C@@H](CN2CC[NH+](CC2)C)O

InChI

InChI=1S/C21H37N3O3/c1-18(2)24(13-14-26-4)15-19-5-7-21(8-6-19)27-17-20(25)16-23-11-9-22(3)10-12-23/h5-8,18,20,25H,9-17H2,1-4H3/p+2/t20-/m1/s1