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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[3-(3-methylphenoxy)propyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[3-(3-methylphenoxy)propyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[3-(3-methylphenoxy)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[3-(3-methylphenoxy)propyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[3-(3-methylphenoxy)propyl]piperidin-1-ium-4-carboxamide Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/c1-17-4-2-5-20(14-17)27-13-3-10-25-11-8-18(9-12-25)23(26)24-19-6-7-21-22(15-19)29-16-28-21/h2,4-7,14-15,18H,3,8-13,16H2,1H3,(H,24,26)/p+1