(3-methylthiophen-2-yl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-methylthiophen-2-yl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-methyl-2-thienyl)-[(3S)-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanone CAS Name: (3-methyl-2-thiophenyl)-[(3S)-1-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methylthiophen-2-yl)-[(3S)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-methyl-2-thienyl)-[(3S)-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanone Formula: C22H31N3OS+2 MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C22H29N3OS/c1-17-9-14-27-22(17)21(26)18-5-4-11-25(15-18)20-7-12-24(13-8-20)16-19-6-2-3-10-23-19/h2-3,6,9-10,14,18,20H,4-5,7-8,11-13,15-16H2,1H3/p+2/t18-/m0/s1