4-bromanyl-5-methyl-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 4-bromanyl-5-methyl-1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-bromo-5-methyl-indoline-2,3-dione CAS Name: 4-bromo-5-methyl-1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-bromo-5-methylindole-2,3-dione Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]-4-bromo-5-methyl-isatin Formula: C22H24BrN2O2+ MolecularWeight: 428.34216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)Br

InChI

InChI=1S/C22H23BrN2O2/c1-15-7-8-18-19(20(15)23)21(26)22(27)25(18)14-24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,17H,9-14H2,1H3/p+1