N-[1-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(2S)-3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[(2S)-2-hydroxy-3-piperonyloxy-propyl]piperidin-1-ium-4-yl]benzamide Formula: C23H29N2O5+ MolecularWeight: 413.48676

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)CC(COCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)C[C@@H](COCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C23H28N2O5/c26-20(15-28-14-17-6-7-21-22(12-17)30-16-29-21)13-25-10-8-19(9-11-25)24-23(27)18-4-2-1-3-5-18/h1-7,12,19-20,26H,8-11,13-16H2,(H,24,27)/p+1/t20-/m0/s1