(3R,4R)-4-(azepan-1-ium-1-yl)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(benzothiophen-2-ylmethyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-(1-benzothiophen-2-ylmethyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(benzothiophen-2-ylmethyl)piperidin-1-ium-3-ol Formula: C20H30N2OS+2 MolecularWeight: 346.53

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC[NH+](CC2O)CC3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC4=CC=CC=C4S3

InChI

InChI=1S/C20H28N2OS/c23-19-15-21(12-9-18(19)22-10-5-1-2-6-11-22)14-17-13-16-7-3-4-8-20(16)24-17/h3-4,7-8,13,18-19,23H,1-2,5-6,9-12,14-15H2/p+2/t18-,19-/m1/s1