[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-pyrazin-2-yl-methanone

Systemtic Name: [(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-pyrazin-2-yl-methanone Openeye Name: [(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-piperidyl]-pyrazin-2-yl-methanone CAS Name: [(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(2-pyrazinyl)methanone IUPAC Name: [(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone Traditional Name: [(3S)-3-(4-piperonylpiperazin-1-ium-1-yl)piperidino]-pyrazin-2-yl-methanone Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3/c28-22(19-13-23-5-6-24-19)27-7-1-2-18(15-27)26-10-8-25(9-11-26)14-17-3-4-20-21(12-17)30-16-29-20/h3-6,12-13,18H,1-2,7-11,14-16H2/p+1/t18-/m0/s1