(3S)-1-(azepan-1-ium-1-ylmethyl)-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-indol-2-one

Systemtic Name: (3S)-1-(azepan-1-ium-1-ylmethyl)-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-indol-2-one Openeye Name: (3S)-1-(azepan-1-ium-1-ylmethyl)-3-hydroxy-3-[2-oxo-2-(p-tolyl)ethyl]indolin-2-one CAS Name: (3S)-1-(1-azepan-1-iumylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-indolone IUPAC Name: (3S)-1-(azepan-1-ium-1-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one Traditional Name: (3S)-1-(azepan-1-ium-1-ylmethyl)-3-hydroxy-3-[2-keto-2-(p-tolyl)ethyl]oxindole Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC2(C3=CC=CC=C3N(C2=O)C[NH+]4CCCCCC4)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@@]2(C3=CC=CC=C3N(C2=O)C[NH+]4CCCCCC4)O

InChI

InChI=1S/C24H28N2O3/c1-18-10-12-19(13-11-18)22(27)16-24(29)20-8-4-5-9-21(20)26(23(24)28)17-25-14-6-2-3-7-15-25/h4-5,8-13,29H,2-3,6-7,14-17H2,1H3/p+1/t24-/m0/s1