3-[4-(1-benzothiophen-2-yl)-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]propan-1-amine

Systemtic Name: 3-[4-(1-benzothiophen-2-yl)-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]propan-1-amine Openeye Name: 3-[4-(benzothiophen-2-yl)-2-[(4-piperidylmethylamino)methyl]phenoxy]propan-1-amine CAS Name: 3-[4-(1-benzothiophen-2-yl)-2-[(4-piperidinylmethylamino)methyl]phenoxy]-1-propanamine IUPAC Name: 3-[4-(1-benzothiophen-2-yl)-2-[(piperidin-4-ylmethylamino)methyl]phenoxy]propan-1-amine Traditional Name: [2-(3-aminopropoxy)-5-(benzothiophen-2-yl)benzyl]-(4-piperidylmethyl)amine Formula: C24H31N3OS MolecularWeight: 409.58744

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNCC2=C(C=CC(=C2)C3=CC4=CC=CC=C4S3)OCCCN

Isomeric SMILES

C1CNCCC1CNCC2=C(C=CC(=C2)C3=CC4=CC=CC=C4S3)OCCCN

InChI

InChI=1S/C24H31N3OS/c25-10-3-13-28-22-7-6-20(24-15-19-4-1-2-5-23(19)29-24)14-21(22)17-27-16-18-8-11-26-12-9-18/h1-2,4-7,14-15,18,26-27H,3,8-13,16-17,25H2