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

Systemtic Name: 3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]propanamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-3-(2,4-dioxo-1-pyrimidinyl)propanamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2,4-dioxopyrimidin-1-yl)propanamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2,4-diketopyrimidin-1-yl)propionamide Formula: C19H31N4O3+ MolecularWeight: 363.47444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)CCN3C=CC(=O)NC3=O

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CCN3C=CC(=O)NC3=O

InChI

InChI=1S/C19H30N4O3/c24-17(9-12-22-13-10-18(25)21-19(22)26)20-15-6-5-11-23(14-15)16-7-3-1-2-4-8-16/h10,13,15-16H,1-9,11-12,14H2,(H,20,24)(H,21,25,26)/p+1/t15-/m0/s1