3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Openeye Name: 3-(2,4-dioxopyrimidin-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide CAS Name: 3-(2,4-dioxo-1-pyrimidinyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-(2,4-dioxopyrimidin-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Traditional Name: 3-(2,4-diketopyrimidin-1-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propionamide Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCN3C=CC(=O)NC3=O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCN3C=CC(=O)NC3=O

InChI

InChI=1S/C20H26N4O3/c25-18(9-13-24-14-10-19(26)22-20(24)27)21-17-7-4-11-23(15-17)12-8-16-5-2-1-3-6-16/h1-3,5-6,10,14,17H,4,7-9,11-13,15H2,(H,21,25)(H,22,26,27)/p+1/t17-/m0/s1