N-[2-[[(3S)-3-(3-methylthiophen-2-yl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-5-yl]ethanamide

Systemtic Name: N-[2-[[(3S)-3-(3-methylthiophen-2-yl)carbonylpiperidin-1-ium-1-yl]methyl]quinolin-5-yl]ethanamide Openeye Name: N-[2-[[(3S)-3-(3-methylthiophene-2-carbonyl)piperidin-1-ium-1-yl]methyl]-5-quinolyl]acetamide CAS Name: N-[2-[[(3S)-3-[(3-methyl-2-thiophenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-5-quinolinyl]acetamide IUPAC Name: N-[2-[[(3S)-3-(3-methylthiophene-2-carbonyl)piperidin-1-ium-1-yl]methyl]quinolin-5-yl]acetamide Traditional Name: N-[2-[[(3S)-3-(3-methylthiophene-2-carbonyl)piperidin-1-ium-1-yl]methyl]-5-quinolyl]acetamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)C2CCC[NH+](C2)CC3=NC4=C(C=C3)C(=CC=C4)NC(=O)C

Isomeric SMILES

CC1=C(SC=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=C(C=C3)C(=CC=C4)NC(=O)C

InChI

InChI=1S/C23H25N3O2S/c1-15-10-12-29-23(15)22(28)17-5-4-11-26(13-17)14-18-8-9-19-20(24-16(2)27)6-3-7-21(19)25-18/h3,6-10,12,17H,4-5,11,13-14H2,1-2H3,(H,24,27)/p+1/t17-/m0/s1