(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-4-ium-1-yl-propionamide Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)N3CC[NH2+]CC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)N3CC[NH2+]CC3

InChI

InChI=1S/C15H21N3O3/c1-11(18-6-4-16-5-7-18)15(19)17-12-2-3-13-14(10-12)21-9-8-20-13/h2-3,10-11,16H,4-9H2,1H3,(H,17,19)/p+1/t11-/m0/s1