2-chloranyl-N-[[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzamide

Systemtic Name: 2-chloranyl-N-[[2-oxidanylidene-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzamide Openeye Name: 2-chloro-N-[[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]benzamide CAS Name: 2-chloro-N-[[2-oxo-1-(1-piperidin-1-iumylmethyl)-3-indolylidene]amino]benzamide IUPAC Name: 2-chloro-N-[[2-oxo-1-(piperidin-1-ium-1-ylmethyl)indol-3-ylidene]amino]benzamide Traditional Name: 2-chloro-N-[[2-keto-1-(piperidin-1-ium-1-ylmethyl)indolin-3-ylidene]amino]benzamide Formula: C21H22ClN4O2+ MolecularWeight: 397.87798

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC=CC=C4Cl)C2=O

Isomeric SMILES

C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC=CC=C4Cl)C2=O

InChI

InChI=1S/C21H21ClN4O2/c22-17-10-4-2-8-15(17)20(27)24-23-19-16-9-3-5-11-18(16)26(21(19)28)14-25-12-6-1-7-13-25/h2-5,8-11H,1,6-7,12-14H2,(H,24,27)/p+1