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

Systemtic Name: [(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-cyclohexyl-methanone Openeye Name: [(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-piperidyl]-cyclohexyl-methanone CAS Name: [(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-piperidinyl]-cyclohexylmethanone IUPAC Name: [(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-cyclohexylmethanone Traditional Name: cyclohexyl-[(3S)-3-(4-piperonylpiperazin-1-ium-1-yl)piperidino]methanone Formula: C24H36N3O3+ MolecularWeight: 414.56094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H35N3O3/c28-24(20-5-2-1-3-6-20)27-10-4-7-21(17-27)26-13-11-25(12-14-26)16-19-8-9-22-23(15-19)30-18-29-22/h8-9,15,20-21H,1-7,10-14,16-18H2/p+1/t21-/m0/s1