5-[2-oxidanylidene-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one

Systemtic Name: 5-[2-oxidanylidene-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-oxo-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-oxo-2-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-oxo-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-keto-2-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)CN3C(=O)CCOC4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)CN3C(=O)CCOC4=CC=CC=C43

InChI

InChI=1S/C21H30N4O3/c26-20-7-16-28-19-6-2-1-5-18(19)25(20)17-21(27)24-14-12-23(13-15-24)11-10-22-8-3-4-9-22/h1-2,5-6H,3-4,7-17H2/p+1