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

Systemtic Name: (3-methylthiophen-2-yl)-[(3S)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-methyl-2-thienyl)-[(3S)-1-(2-quinolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-methyl-2-thiophenyl)-[(3S)-1-(2-quinolinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methylthiophen-2-yl)-[(3S)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-methyl-2-thienyl)-[(3S)-1-(2-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=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H22N2OS/c1-15-10-12-25-21(15)20(24)17-6-4-11-23(13-17)14-18-9-8-16-5-2-3-7-19(16)22-18/h2-3,5,7-10,12,17H,4,6,11,13-14H2,1H3/p+1/t17-/m0/s1