(2S)-N-(5-chloranylpyridin-2-yl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(5-chloranylpyridin-2-yl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]propanamide Openeye Name: (2S)-N-(5-chloro-2-pyridyl)-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]propanamide CAS Name: (2S)-N-(5-chloro-2-pyridinyl)-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: (2S)-N-(5-chloropyridin-2-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]propanamide Traditional Name: (2S)-N-(5-chloro-2-pyridyl)-2-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]propionamide Formula: C19H29ClN5O2+ MolecularWeight: 394.91886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C19H28ClN5O2/c1-15(19(27)22-17-6-5-16(20)13-21-17)24-11-9-23(10-12-24)14-18(26)25-7-3-2-4-8-25/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,21,22,27)/p+1/t15-/m0/s1