(2S)-N-(1,3-benzodioxol-5-yl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-piperazin-4-ium-1-yl-propionamide Formula: C14H20N3O3+ MolecularWeight: 278.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3CC[NH2+]CC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)N3CC[NH2+]CC3

InChI

InChI=1S/C14H19N3O3/c1-10(17-6-4-15-5-7-17)14(18)16-11-2-3-12-13(8-11)20-9-19-12/h2-3,8,10,15H,4-7,9H2,1H3,(H,16,18)/p+1/t10-/m0/s1