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

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-[4-(diphenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]-[4-(diphenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzhydrylpiperazino)-(1-piperonylpiperidin-1-ium-4-yl)methanone Formula: C31H36N3O3+ MolecularWeight: 498.63584

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H35N3O3/c35-31(27-13-15-32(16-14-27)22-24-11-12-28-29(21-24)37-23-36-28)34-19-17-33(18-20-34)30(25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-12,21,27,30H,13-20,22-23H2/p+1