1-benzothiophen-2-ylmethyl-[[3-[(2S)-3-morpholin-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-[[3-[(2S)-3-morpholin-4-yl-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: benzothiophen-2-ylmethyl-[[3-[(2S)-2-hydroxy-3-morpholino-propoxy]phenyl]methyl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[[3-[(2S)-2-hydroxy-3-(4-morpholinyl)propoxy]phenyl]methyl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[[3-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]methyl]azanium Traditional Name: benzothiophen-2-ylmethyl-[3-[(2S)-2-hydroxy-3-morpholino-propoxy]benzyl]ammonium Formula: C23H29N2O3S+ MolecularWeight: 413.55296

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(COC2=CC=CC(=C2)C[NH2+]CC3=CC4=CC=CC=C4S3)O

Isomeric SMILES

C1COCCN1C[C@@H](COC2=CC=CC(=C2)C[NH2+]CC3=CC4=CC=CC=C4S3)O

InChI

InChI=1S/C23H28N2O3S/c26-20(16-25-8-10-27-11-9-25)17-28-21-6-3-4-18(12-21)14-24-15-22-13-19-5-1-2-7-23(19)29-22/h1-7,12-13,20,24,26H,8-11,14-17H2/p+1/t20-/m0/s1