1-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 1-[[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]methyl]isatin Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4C(=O)C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)CN3C4=CC=CC=C4C(=O)C3=O

InChI

InChI=1S/C21H28N4O3/c26-19(24-9-5-1-2-6-10-24)15-22-11-13-23(14-12-22)16-25-18-8-4-3-7-17(18)20(27)21(25)28/h3-4,7-8H,1-2,5-6,9-16H2/p+1