[2-[3-(azepan-1-ium-1-yl)propanoyl]hydrazinyl]-(6-sulfanylidenecyclohexa-2,4-dien-1-ylidene)methanolate

Systemtic Name: [2-[3-(azepan-1-ium-1-yl)propanoyl]hydrazinyl]-(6-sulfanylidenecyclohexa-2,4-dien-1-ylidene)methanolate Openeye Name: [2-[3-(azepan-1-ium-1-yl)propanoyl]hydrazino]-(6-thioxocyclohexa-2,4-dien-1-ylidene)methanolate CAS Name: [[3-(1-azepan-1-iumyl)-1-oxopropyl]hydrazo]-(6-sulfanylidene-1-cyclohexa-2,4-dienylidene)methanolate IUPAC Name: [2-[3-(azepan-1-ium-1-yl)propanoyl]hydrazinyl]-(6-sulfanylidenecyclohexa-2,4-dien-1-ylidene)methanolate Traditional Name: [N'-[3-(azepan-1-ium-1-yl)propanoyl]hydrazino]-(6-thioxocyclohexa-2,4-dien-1-ylidene)methanolate Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC(=O)NNC(=C2C=CC=CC2=S)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CCC(=O)NNC(=C2C=CC=CC2=S)[O-]

InChI

InChI=1S/C16H23N3O2S/c20-15(9-12-19-10-5-1-2-6-11-19)17-18-16(21)13-7-3-4-8-14(13)22/h3-4,7-8,18,21H,1-2,5-6,9-12H2,(H,17,20)