N-cyclohexyl-2-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclohexyl-2-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclohexyl-2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclohexyl-2-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclohexyl-2-[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C21H30N3O4+ MolecularWeight: 388.4806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H29N3O4/c25-20(22-16-6-2-1-3-7-16)14-23-10-12-24(13-11-23)21(26)19-15-27-17-8-4-5-9-18(17)28-19/h4-5,8-9,16,19H,1-3,6-7,10-15H2,(H,22,25)/p+1/t19-/m0/s1