(3R)-1-(azepan-1-ium-1-ylmethyl)-3-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-indol-2-one

Systemtic Name: (3R)-1-(azepan-1-ium-1-ylmethyl)-3-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-indol-2-one Openeye Name: (3R)-1-(azepan-1-ium-1-ylmethyl)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxo-ethyl]indolin-2-one CAS Name: (3R)-1-(1-azepan-1-iumylmethyl)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-2-indolone IUPAC Name: (3R)-1-(azepan-1-ium-1-ylmethyl)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one Traditional Name: (3R)-1-(azepan-1-ium-1-ylmethyl)-3-hydroxy-3-[2-keto-2-(2-methoxyphenyl)ethyl]oxindole Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)CC2(C3=CC=CC=C3N(C2=O)C[NH+]4CCCCCC4)O

Isomeric SMILES

COC1=CC=CC=C1C(=O)C[C@]2(C3=CC=CC=C3N(C2=O)C[NH+]4CCCCCC4)O

InChI

InChI=1S/C24H28N2O4/c1-30-22-13-7-4-10-18(22)21(27)16-24(29)19-11-5-6-12-20(19)26(23(24)28)17-25-14-8-2-3-9-15-25/h4-7,10-13,29H,2-3,8-9,14-17H2,1H3/p+1/t24-/m1/s1