N-[2-[4-(2-methoxyphenyl)-4-(phenylmethyl)piperazin-4-ium-1-yl]ethanoyl]cyclohexanecarboxamide

Systemtic Name: N-[2-[4-(2-methoxyphenyl)-4-(phenylmethyl)piperazin-4-ium-1-yl]ethanoyl]cyclohexanecarboxamide Openeye Name: N-[2-[4-benzyl-4-(2-methoxyphenyl)piperazin-4-ium-1-yl]acetyl]cyclohexanecarboxamide CAS Name: N-[2-[4-(2-methoxyphenyl)-4-(phenylmethyl)-1-piperazin-4-iumyl]-1-oxoethyl]cyclohexanecarboxamide IUPAC Name: N-[2-[4-benzyl-4-(2-methoxyphenyl)piperazin-4-ium-1-yl]acetyl]cyclohexanecarboxamide Traditional Name: N-[2-[4-benzyl-4-(2-methoxyphenyl)piperazin-4-ium-1-yl]acetyl]cyclohexanecarboxamide Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N+]2(CCN(CC2)CC(=O)NC(=O)C3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1[N+]2(CCN(CC2)CC(=O)NC(=O)C3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c1-33-25-15-9-8-14-24(25)30(21-22-10-4-2-5-11-22)18-16-29(17-19-30)20-26(31)28-27(32)23-12-6-3-7-13-23/h2,4-5,8-11,14-15,23H,3,6-7,12-13,16-21H2,1H3/p+1