4-[2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[2-[(2R)-1-[(5-methyl-2-furyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[2-[(2R)-1-[(5-methyl-2-furanyl)methyl]-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-1-ium-2-yl]acetyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[2-[(2R)-3-keto-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]acetyl]-1,4-diazepane-1-carbaldehyde Formula: C18H27N4O4+ MolecularWeight: 363.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCNC(=O)C2CC(=O)N3CCCN(CC3)C=O

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCCN(CC3)C=O

InChI

InChI=1S/C18H26N4O4/c1-14-3-4-15(26-14)12-22-8-5-19-18(25)16(22)11-17(24)21-7-2-6-20(13-23)9-10-21/h3-4,13,16H,2,5-12H2,1H3,(H,19,25)/p+1/t16-/m1/s1