1-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-5-ethyl-indole-2,3-dione

Systemtic Name: 1-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-5-ethyl-indole-2,3-dione Openeye Name: 1-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5-ethyl-indoline-2,3-dione CAS Name: 1-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-5-ethylindole-2,3-dione IUPAC Name: 1-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5-ethylindole-2,3-dione Traditional Name: 1-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5-ethyl-isatin Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H31N3O3/c1-2-17-7-8-20-19(15-17)21(27)23(29)26(20)16-24-13-9-18(10-14-24)22(28)25-11-5-3-4-6-12-25/h7-8,15,18H,2-6,9-14,16H2,1H3/p+1