[4-(azepan-1-ium-1-ylmethyl)-3-oxidanyl-naphthalen-2-yl]-morpholin-4-yl-methanone

Systemtic Name: [4-(azepan-1-ium-1-ylmethyl)-3-oxidanyl-naphthalen-2-yl]-morpholin-4-yl-methanone Openeye Name: [4-(azepan-1-ium-1-ylmethyl)-3-hydroxy-2-naphthyl]-morpholino-methanone CAS Name: [4-(1-azepan-1-iumylmethyl)-3-hydroxy-2-naphthalenyl]-(4-morpholinyl)methanone IUPAC Name: [4-(azepan-1-ium-1-ylmethyl)-3-hydroxynaphthalen-2-yl]-morpholin-4-ylmethanone Traditional Name: [4-(azepan-1-ium-1-ylmethyl)-3-hydroxy-2-naphthyl]-morpholino-methanone Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C(=CC3=CC=CC=C32)C(=O)N4CCOCC4)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C(=CC3=CC=CC=C32)C(=O)N4CCOCC4)O

InChI

InChI=1S/C22H28N2O3/c25-21-19(22(26)24-11-13-27-14-12-24)15-17-7-3-4-8-18(17)20(21)16-23-9-5-1-2-6-10-23/h3-4,7-8,15,25H,1-2,5-6,9-14,16H2/p+1