(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-methyl-2-thienyl)methyl]piperidin-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(3-methyl-2-thiophenyl)methyl]-3-piperidinol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-methyl-2-thienyl)methyl]piperidin-3-ol Formula: C17H29N2OS+ MolecularWeight: 309.48996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN2CCC(C(C2)O)[NH+]3CCCCCC3

Isomeric SMILES

CC1=C(SC=C1)CN2CC[C@H]([C@@H](C2)O)[NH+]3CCCCCC3

InChI

InChI=1S/C17H28N2OS/c1-14-7-11-21-17(14)13-18-10-6-15(16(20)12-18)19-8-4-2-3-5-9-19/h7,11,15-16,20H,2-6,8-10,12-13H2,1H3/p+1/t15-,16-/m1/s1