N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H28N2O3/c26-23(20-7-4-19(5-8-20)17-25-12-2-1-3-13-25)24-11-10-18-6-9-21-22(16-18)28-15-14-27-21/h4-9,16H,1-3,10-15,17H2,(H,24,26)/p+1