N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-3-methyl-benzo[g][1]benzofuran-2-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-3-methyl-benzo[g][1]benzofuran-2-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-3-methyl-benzo[g]benzofuran-2-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-3-methyl-2-benzo[g]benzofurancarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-3-methylbenzo[g][1]benzofuran-2-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-3-methyl-benzo[g]benzofuran-2-carboxamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)NC4CC[NH+](CC4)CC(=O)N

Isomeric SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)NC4CC[NH+](CC4)CC(=O)N

InChI

InChI=1S/C21H23N3O3/c1-13-16-7-6-14-4-2-3-5-17(14)20(16)27-19(13)21(26)23-15-8-10-24(11-9-15)12-18(22)25/h2-7,15H,8-12H2,1H3,(H2,22,25)(H,23,26)/p+1