N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-5-chloranyl-1H-indole-2-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-5-chloranyl-1H-indole-2-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-5-chloro-1H-indole-2-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-5-chloro-1H-indole-2-carboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-5-chloro-1H-indole-2-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-5-chloro-1H-indole-2-carboxamide Formula: C16H20ClN4O2+ MolecularWeight: 335.8086

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)CC(=O)N

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)CC(=O)N

InChI

InChI=1S/C16H19ClN4O2/c17-11-1-2-13-10(7-11)8-14(20-13)16(23)19-12-3-5-21(6-4-12)9-15(18)22/h1-2,7-8,12,20H,3-6,9H2,(H2,18,22)(H,19,23)/p+1