1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-4-phenyl-piperazine

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-4-phenyl-piperazine Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-4-phenyl-piperazine CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-4-phenylpiperazine Traditional Name: 1-phenyl-4-(1-piperonylpiperidin-1-ium-4-yl)piperazine Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1N2CCN(CC2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H29N3O2/c1-2-4-20(5-3-1)25-12-14-26(15-13-25)21-8-10-24(11-9-21)17-19-6-7-22-23(16-19)28-18-27-22/h1-7,16,21H,8-15,17-18H2/p+1