(2S)-2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-ium-1-yl]-N-propan-2-yl-propanamide

Systemtic Name: (2S)-2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-ium-1-yl]-N-propan-2-yl-propanamide Openeye Name: (2S)-2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-yl]-N-isopropyl-propanamide CAS Name: (2S)-2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazin-1-iumyl]-N-propan-2-ylpropanamide IUPAC Name: (2S)-2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylpropanamide Traditional Name: (2S)-2-[4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazin-1-ium-1-yl]-N-isopropyl-propionamide Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)[NH+]1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)[NH+]1CCN(CC1)C(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C19H27N3O4/c1-13(2)20-18(23)14(3)21-8-10-22(11-9-21)19(24)17-12-25-15-6-4-5-7-16(15)26-17/h4-7,13-14,17H,8-12H2,1-3H3,(H,20,23)/p+1/t14-,17+/m0/s1