N-[(2S)-4-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]-4-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[(2S)-4-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]-4-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-methyl-3-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]-3-oxo-propyl]benzamide CAS Name: N-[(2S)-4-[[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-4-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-3-keto-1-methyl-3-[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]propyl]benzamide Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CC(C)NC(=O)C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C[C@H](C)NC(=O)C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C23H31N3O2S/c1-17-10-12-26(13-11-17)20(21-9-6-14-29-21)16-24-22(27)15-18(2)25-23(28)19-7-4-3-5-8-19/h3-9,14,17-18,20H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)/p+1/t18-,20+/m0/s1