2-methoxy-N-[(2S)-1-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-methoxy-N-[(2S)-1-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-methoxy-N-[(1S)-1-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-methoxy-N-[(2S)-1-[[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-methoxy-N-[(2S)-1-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-methoxy-N-[(1S)-1-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]carbamoyl]-3-(methylthio)propyl]benzamide Formula: C27H38N3O4S+ MolecularWeight: 500.67332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2OC)[NH+]3CCCCC3

InChI

InChI=1S/C27H37N3O4S/c1-33-21-13-11-20(12-14-21)24(30-16-7-4-8-17-30)19-28-27(32)23(15-18-35-3)29-26(31)22-9-5-6-10-25(22)34-2/h5-6,9-14,23-24H,4,7-8,15-19H2,1-3H3,(H,28,32)(H,29,31)/p+1/t23-,24-/m0/s1