4-chloranyl-N'-(3,3-dimethyl-5-piperidin-1-ium-1-yl-cyclohexa-1,5-dien-1-yl)benzohydrazide

Systemtic Name: 4-chloranyl-N'-(3,3-dimethyl-5-piperidin-1-ium-1-yl-cyclohexa-1,5-dien-1-yl)benzohydrazide Openeye Name: 4-chloro-N'-(3,3-dimethyl-5-piperidin-1-ium-1-yl-cyclohexa-1,5-dien-1-yl)benzohydrazide CAS Name: 4-chloro-N'-[3,3-dimethyl-5-(1-piperidin-1-iumyl)-1-cyclohexa-1,5-dienyl]benzohydrazide IUPAC Name: 4-chloro-N'-(3,3-dimethyl-5-piperidin-1-ium-1-ylcyclohexa-1,5-dien-1-yl)benzohydrazide Traditional Name: 4-chloro-N'-(3,3-dimethyl-5-piperidin-1-ium-1-yl-cyclohexa-1,5-dien-1-yl)benzohydrazide Formula: C20H27ClN3O+ MolecularWeight: 360.90088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=C1)NNC(=O)C2=CC=C(C=C2)Cl)[NH+]3CCCCC3)C

Isomeric SMILES

CC1(CC(=CC(=C1)NNC(=O)C2=CC=C(C=C2)Cl)[NH+]3CCCCC3)C

InChI

InChI=1S/C20H26ClN3O/c1-20(2)13-17(12-18(14-20)24-10-4-3-5-11-24)22-23-19(25)15-6-8-16(21)9-7-15/h6-9,12-13,22H,3-5,10-11,14H2,1-2H3,(H,23,25)/p+1