N-[(E)-[2-oxidanylidene-1-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]indol-3-ylidene]amino]ethanamide

Systemtic Name: N-[(E)-[2-oxidanylidene-1-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]indol-3-ylidene]amino]ethanamide Openeye Name: N-[(E)-[2-oxo-1-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]indolin-3-ylidene]amino]acetamide CAS Name: N-[(E)-[2-oxo-1-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]-3-indolylidene]amino]acetamide IUPAC Name: N-[(E)-[2-oxo-1-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]indol-3-ylidene]amino]acetamide Traditional Name: N-[(E)-[2-keto-1-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]indolin-3-ylidene]amino]acetamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN=C1C2=CC=CC=C2N(C1=O)C[NH+]3CCCCC3C4=CN=CC=C4

Isomeric SMILES

CC(=O)N/N=C/1\C2=CC=CC=C2N(C1=O)C[NH+]3CCCC[C@H]3C4=CN=CC=C4

InChI

InChI=1S/C21H23N5O2/c1-15(27)23-24-20-17-8-2-3-10-19(17)26(21(20)28)14-25-12-5-4-9-18(25)16-7-6-11-22-13-16/h2-3,6-8,10-11,13,18H,4-5,9,12,14H2,1H3,(H,23,27)/p+1/b24-20+/t18-/m0/s1