[4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [4-methoxy-3-[(2R)-3-(4-methylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-methyl-(2-thienylmethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1-piperazin-4-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [3-[(2R)-2-hydroxy-3-(4-methylpiperazin-4-ium-1-yl)propoxy]-4-methoxy-benzyl]-methyl-(2-thenyl)ammonium Formula: C22H35N3O3S+2 MolecularWeight: 421.5966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2=C(C=CC(=C2)C[NH+](C)CC3=CC=CS3)OC)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@H](COC2=C(C=CC(=C2)C[NH+](C)CC3=CC=CS3)OC)O

InChI

InChI=1S/C22H33N3O3S/c1-23-8-10-25(11-9-23)15-19(26)17-28-22-13-18(6-7-21(22)27-3)14-24(2)16-20-5-4-12-29-20/h4-7,12-13,19,26H,8-11,14-17H2,1-3H3/p+2/t19-/m1/s1