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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-benzylpiperidin-1-ium-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(1-benzylpiperidin-1-ium-4-yl)methanone Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(4-piperonylpiperazino)methanone Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H31N3O3/c29-25(22-8-10-26(11-9-22)17-20-4-2-1-3-5-20)28-14-12-27(13-15-28)18-21-6-7-23-24(16-21)31-19-30-23/h1-7,16,22H,8-15,17-19H2/p+1