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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(C(=CC4=CC=CC=C43)C(=O)N5CCOCC5)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(C(=CC4=CC=CC=C43)C(=O)N5CCOCC5)O)C

InChI

InChI=1S/C28H33N3O3/c1-20-6-5-9-26(21(20)2)30-12-10-29(11-13-30)19-25-23-8-4-3-7-22(23)18-24(27(25)32)28(33)31-14-16-34-17-15-31/h3-9,18,32H,10-17,19H2,1-2H3/p+1