N-(1,3-benzodioxol-5-yl)-4-cyclohexyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-cyclohexyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-cyclohexyl-piperazin-4-ium-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-cyclohexyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-cyclohexylpiperazin-4-ium-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-cyclohexyl-piperazin-4-ium-1-carboxamide Formula: C18H26N3O3+ MolecularWeight: 332.41734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H25N3O3/c22-18(19-14-6-7-16-17(12-14)24-13-23-16)21-10-8-20(9-11-21)15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,19,22)/p+1