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

Systemtic Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)piperidine-1-carboxamide Openeye Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-benzyl-piperidine-1-carboxamide CAS Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)-1-piperidinecarboxamide IUPAC Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-benzylpiperidine-1-carboxamide Traditional Name: (3S)-N-benzyl-3-(4-piperonylpiperazin-1-ium-1-yl)piperidine-1-carboxamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)NCC2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)NCC2=CC=CC=C2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H32N4O3/c30-25(26-16-20-5-2-1-3-6-20)29-10-4-7-22(18-29)28-13-11-27(12-14-28)17-21-8-9-23-24(15-21)32-19-31-23/h1-3,5-6,8-9,15,22H,4,7,10-14,16-19H2,(H,26,30)/p+1/t22-/m0/s1