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

Systemtic Name: [1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(m-tolylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-(3-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(=CC=C1)C[NH+]2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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