1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]urea Traditional Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-piperonyl-urea Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1NC(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1NC(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H23N3O3/c1-11-4-3-5-12(2)19(11)18-16(20)17-9-13-6-7-14-15(8-13)22-10-21-14/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,17,18,20)/p+1/t11-,12-/m0/s1