1-(4-phenylpiperazin-1-yl)-3-[1-(quinolin-5-ylmethyl)piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-3-[1-(quinolin-5-ylmethyl)piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-(4-phenylpiperazin-1-yl)-3-[1-(5-quinolylmethyl)piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-(4-phenyl-1-piperazinyl)-3-[1-(5-quinolinylmethyl)-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-3-[1-(quinolin-5-ylmethyl)piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(4-phenylpiperazino)-3-[1-(5-quinolylmethyl)piperidin-1-ium-4-yl]propan-1-one Formula: C28H35N4O+ MolecularWeight: 443.6037

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=C5C=CC=NC5=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=C5C=CC=NC5=CC=C4

InChI

InChI=1S/C28H34N4O/c33-28(32-20-18-31(19-21-32)25-7-2-1-3-8-25)12-11-23-13-16-30(17-14-23)22-24-6-4-10-27-26(24)9-5-15-29-27/h1-10,15,23H,11-14,16-22H2/p+1