(4-phenylpiperazin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-phenylpiperazin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: (4-phenylpiperazin-1-yl)-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: (4-phenyl-1-piperazinyl)-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: (4-phenylpiperazin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]methanone Traditional Name: (4-phenylpiperazino)-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]methanone Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C22H28N4O/c27-22(26-15-13-25(14-16-26)21-6-2-1-3-7-21)20-8-11-24(12-9-20)18-19-5-4-10-23-17-19/h1-7,10,17,20H,8-9,11-16,18H2/p+1