[4-[[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methyl]-3-oxidanyl-naphthalen-2-yl]-morpholin-4-yl-methanone

Systemtic Name: [4-[[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methyl]-3-oxidanyl-naphthalen-2-yl]-morpholin-4-yl-methanone Openeye Name: [3-hydroxy-4-[[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methyl]-2-naphthyl]-morpholino-methanone CAS Name: [3-hydroxy-4-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methyl]-2-naphthalenyl]-(4-morpholinyl)methanone IUPAC Name: [3-hydroxy-4-[[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methyl]naphthalen-2-yl]-morpholin-4-ylmethanone Traditional Name: [3-hydroxy-4-[[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methyl]-2-naphthyl]-morpholino-methanone Formula: C28H34N3O3+ MolecularWeight: 460.58786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)CC3=C(C(=CC4=CC=CC=C43)C(=O)N5CCOCC5)O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)CC3=C(C(=CC4=CC=CC=C43)C(=O)N5CCOCC5)O

InChI

InChI=1S/C28H33N3O3/c1-21-6-2-3-8-23(21)19-29-10-12-30(13-11-29)20-26-24-9-5-4-7-22(24)18-25(27(26)32)28(33)31-14-16-34-17-15-31/h2-9,18,32H,10-17,19-20H2,1H3/p+1