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

Systemtic Name: phenyl-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: phenyl-[4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C23H31N3O+2 MolecularWeight: 365.51174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O/c27-23(21-9-5-2-6-10-21)26-17-15-25(16-18-26)22-11-13-24(14-12-22)19-20-7-3-1-4-8-20/h1-10,22H,11-19H2/p+2