(3-methylthiophen-2-yl)-[(3R)-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-methylthiophen-2-yl)-[(3R)-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-methyl-2-thienyl)-[(3R)-1-(4-quinolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-methyl-2-thiophenyl)-[(3R)-1-(4-quinolinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methylthiophen-2-yl)-[(3R)-1-(quinolin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-methyl-2-thienyl)-[(3R)-1-(4-quinolylmethyl)piperidin-1-ium-3-yl]methanone Formula: C21H23N2OS+ MolecularWeight: 351.48512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CC3=CC=NC4=CC=CC=C34

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@@H]2CCC[NH+](C2)CC3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C21H22N2OS/c1-15-9-12-25-21(15)20(24)17-5-4-11-23(14-17)13-16-8-10-22-19-7-3-2-6-18(16)19/h2-3,6-10,12,17H,4-5,11,13-14H2,1H3/p+1/t17-/m1/s1