(2S)-N-(4-oxidanylcyclohexyl)-2-piperazin-1-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(4-oxidanylcyclohexyl)-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(4-hydroxycyclohexyl)-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(4-hydroxycyclohexyl)-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-hydroxycyclohexyl)-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-(4-hydroxycyclohexyl)-2-piperazin-1-ium-1-yl-propionamide Formula: C13H26N3O2+ MolecularWeight: 256.36444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCC(CC1)O)[NH+]2CCNCC2

Isomeric SMILES

C[C@@H](C(=O)NC1CCC(CC1)O)[NH+]2CCNCC2

InChI

InChI=1S/C13H25N3O2/c1-10(16-8-6-14-7-9-16)13(18)15-11-2-4-12(17)5-3-11/h10-12,14,17H,2-9H2,1H3,(H,15,18)/p+1/t10-,11?,12?/m0/s1