[1-[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(3S)-1-[(3-methyl-2-thienyl)methyl]-3-piperidyl]piperidin-1-ium-4-yl]methanol CAS Name: [1-[(3S)-1-[(3-methyl-2-thiophenyl)methyl]-3-piperidinyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(3S)-1-[(3-methyl-2-thienyl)methyl]-3-piperidyl]piperidin-1-ium-4-yl]methanol Formula: C17H29N2OS+ MolecularWeight: 309.48996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN2CCCC(C2)[NH+]3CCC(CC3)CO

Isomeric SMILES

CC1=C(SC=C1)CN2CCC[C@@H](C2)[NH+]3CCC(CC3)CO

InChI

InChI=1S/C17H28N2OS/c1-14-6-10-21-17(14)12-18-7-2-3-16(11-18)19-8-4-15(13-20)5-9-19/h6,10,15-16,20H,2-5,7-9,11-13H2,1H3/p+1/t16-/m0/s1