(3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-phenethyl-piperidine-1-carboxamide

Systemtic Name: (3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-phenethyl-piperidine-1-carboxamide Openeye Name: (3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-phenethyl-piperidine-1-carboxamide CAS Name: (3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-phenethyl-1-piperidinecarboxamide IUPAC Name: (3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-phenethylpiperidine-1-carboxamide Traditional Name: (3R)-N-phenethyl-3-(4-piperonylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Formula: C26H35N4O3+ MolecularWeight: 451.5811

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NCCC2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)NCCC2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H34N4O3/c31-26(27-11-10-21-5-2-1-3-6-21)30-12-4-7-23(19-30)29-15-13-28(14-16-29)18-22-8-9-24-25(17-22)33-20-32-24/h1-3,5-6,8-9,17,23H,4,7,10-16,18-20H2,(H,27,31)/p+1/t23-/m1/s1