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

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-piperazin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-piperazin-1-ium-1-yl-propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-piperazin-1-ium-1-ylpropanamide Traditional Name: (2S)-2-piperazin-1-ium-1-yl-N-piperonyl-propionamide Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)[NH+]3CCNCC3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[NH+]3CCNCC3

InChI

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