(2R)-N-cyclopentyl-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(6-nitro-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: (2R)-N-cyclopentyl-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(6-nitro-1,3-benzodioxol-5-yl)ethanamide Openeye Name: (2R)-N-cyclopentyl-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide CAS Name: (2R)-N-cyclopentyl-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide IUPAC Name: (2R)-N-cyclopentyl-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Traditional Name: (2R)-N-cyclopentyl-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Formula: C20H28N3O5+ MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCC4

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@H](C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCC4

InChI

InChI=1S/C20H27N3O5/c1-13-5-4-8-22(11-13)19(20(24)21-14-6-2-3-7-14)15-9-17-18(28-12-27-17)10-16(15)23(25)26/h9-10,13-14,19H,2-8,11-12H2,1H3,(H,21,24)/p+1/t13-,19+/m0/s1