[4-(4-methoxyphenyl)oxan-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(4-methoxyphenyl)oxan-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methanone CAS Name: [4-(4-methoxyphenyl)-4-oxanyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(4-methoxyphenyl)oxan-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methanone Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CCOCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2(CCOCC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N2O3/c1-28-22-9-7-21(8-10-22)24(11-17-29-18-12-24)23(27)26-15-13-25(14-16-26)19-20-5-3-2-4-6-20/h2-10H,11-19H2,1H3/p+1