3-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 3-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 3-[2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 3-[2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 3-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]quinazolin-4-one Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H29N5O3/c28-20(25-9-5-1-2-6-10-25)15-24-11-13-26(14-12-24)21(29)16-27-17-23-19-8-4-3-7-18(19)22(27)30/h3-4,7-8,17H,1-2,5-6,9-16H2/p+1