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

Systemtic Name: [1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(p-tolylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [1-[(4-methylphenyl)methyl]-4-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(4-methylbenzyl)piperidin-1-ium-4-yl]methanone Formula: C25H35N3O+2 MolecularWeight: 393.5649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O/c1-21-7-9-23(10-8-21)20-26-13-11-24(12-14-26)25(29)28-17-15-27(16-18-28)19-22-5-3-2-4-6-22/h2-10,24H,11-20H2,1H3/p+2