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

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]methanone Formula: C23H32N4O+2 MolecularWeight: 380.52638

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)CC4=CN=CC=C4

InChI

InChI=1S/C23H30N4O/c28-23(22-8-11-25(12-9-22)19-21-7-4-10-24-17-21)27-15-13-26(14-16-27)18-20-5-2-1-3-6-20/h1-7,10,17,22H,8-9,11-16,18-19H2/p+2