1-(6-methyl-4-oxidanylidene-1H-quinolin-3-yl)-3-(2-piperidin-1-ium-1-ylethyl)urea

Systemtic Name: 1-(6-methyl-4-oxidanylidene-1H-quinolin-3-yl)-3-(2-piperidin-1-ium-1-ylethyl)urea Openeye Name: 1-(6-methyl-4-oxo-1H-quinolin-3-yl)-3-(2-piperidin-1-ium-1-ylethyl)urea CAS Name: 1-(6-methyl-4-oxo-1H-quinolin-3-yl)-3-[2-(1-piperidin-1-iumyl)ethyl]urea IUPAC Name: 1-(6-methyl-4-oxo-1H-quinolin-3-yl)-3-(2-piperidin-1-ium-1-ylethyl)urea Traditional Name: 1-(4-keto-6-methyl-1H-quinolin-3-yl)-3-(2-piperidin-1-ium-1-ylethyl)urea Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C(C2=O)NC(=O)NCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C(C2=O)NC(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C18H24N4O2/c1-13-5-6-15-14(11-13)17(23)16(12-20-15)21-18(24)19-7-10-22-8-3-2-4-9-22/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,23)(H2,19,21,24)/p+1