N-(1,3-benzodioxol-5-yl)-1-[3-(2,5-dimethylphenoxy)propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[3-(2,5-dimethylphenoxy)propyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[3-(2,5-dimethylphenoxy)propyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[3-(2,5-dimethylphenoxy)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[3-(2,5-dimethylphenoxy)propyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[3-(2,5-dimethylphenoxy)propyl]piperidin-1-ium-4-carboxamide Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H30N2O4/c1-17-4-5-18(2)22(14-17)28-13-3-10-26-11-8-19(9-12-26)24(27)25-20-6-7-21-23(15-20)30-16-29-21/h4-7,14-15,19H,3,8-13,16H2,1-2H3,(H,25,27)/p+1