N-[3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-bromanyl-benzamide

Systemtic Name: N-[3-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-bromanyl-benzamide Openeye Name: N-[3-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-oxo-propyl]-4-bromo-benzamide CAS Name: N-[3-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-oxopropyl]-4-bromobenzamide IUPAC Name: N-[3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-3-oxopropyl]-4-bromobenzamide Traditional Name: N-[3-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-3-keto-propyl]-4-bromo-benzamide Formula: C22H32BrN4O3+ MolecularWeight: 480.41848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31BrN4O3/c23-19-7-5-18(6-8-19)22(30)24-10-9-20(28)27-15-13-25(14-16-27)17-21(29)26-11-3-1-2-4-12-26/h5-8H,1-4,9-17H2,(H,24,30)/p+1