1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-piperonyl-piperazine Formula: C24H36N5O2+ MolecularWeight: 426.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)C[NH+]2CCCC(C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=NC(=C(N1)C)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H35N5O2/c1-3-24-25-18(2)21(26-24)16-28-8-4-5-20(15-28)29-11-9-27(10-12-29)14-19-6-7-22-23(13-19)31-17-30-22/h6-7,13,20H,3-5,8-12,14-17H2,1-2H3,(H,25,26)/p+1/t20-/m0/s1