(2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(2-keto-2-piperidino-ethyl)piperazin-1-ium-1-yl]propionamide Formula: C22H34ClN4O3+ MolecularWeight: 437.98336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)[NH+]2CCN(CC2)CC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@H](C)[NH+]2CCN(CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C22H33ClN4O3/c1-16-13-19(20(30-3)14-18(16)23)24-22(29)17(2)26-11-9-25(10-12-26)15-21(28)27-7-5-4-6-8-27/h13-14,17H,4-12,15H2,1-3H3,(H,24,29)/p+1/t17-/m0/s1