(3S)-N-(1-benzothiophen-2-ylmethyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(1-benzothiophen-2-ylmethyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(benzothiophen-2-ylmethyl)-1-(2-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(1-benzothiophen-2-ylmethyl)-1-(2-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1-benzothiophen-2-ylmethyl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Traditional Name: benzothiophen-2-ylmethyl-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C20H24N3S+ MolecularWeight: 338.48966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NCC3=CC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NCC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C20H23N3S/c1-2-9-20-16(6-1)12-19(24-20)13-22-18-8-5-11-23(15-18)14-17-7-3-4-10-21-17/h1-4,6-7,9-10,12,18,22H,5,8,11,13-15H2/p+1/t18-/m0/s1