[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(3-pyridyl)methanone CAS Name: [4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]-(3-pyridinyl)methanone IUPAC Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(3-pyridyl)methanone Formula: C22H30N4O+2 MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)C3=CN=CC=C3)CC4=CC=CC=C4

InChI

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