(2S)-N-(4-chlorophenyl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-chlorophenyl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-chlorophenyl)-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-chlorophenyl)-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-chlorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-chlorophenyl)-2-[4-(2-keto-2-piperidino-ethyl)piperazin-1-ium-1-yl]propionamide Formula: C20H30ClN4O2+ MolecularWeight: 393.9308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Cl)[NH+]2CCN(CC2)CC(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)Cl)[NH+]2CCN(CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C20H29ClN4O2/c1-16(20(27)22-18-7-5-17(21)6-8-18)24-13-11-23(12-14-24)15-19(26)25-9-3-2-4-10-25/h5-8,16H,2-4,9-15H2,1H3,(H,22,27)/p+1/t16-/m0/s1