2,6-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrimidine-4-carboxamide

Systemtic Name: 2,6-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrimidine-4-carboxamide Openeye Name: 2,6-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrimidine-4-carboxamide CAS Name: 2,6-dimethyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-4-pyrimidinecarboxamide IUPAC Name: 2,6-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrimidine-4-carboxamide Traditional Name: 2,6-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrimidine-4-carboxamide Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3)C

InChI

InChI=1S/C20H26N4O/c1-15-13-19(22-16(2)21-15)20(25)23-18-9-6-11-24(14-18)12-10-17-7-4-3-5-8-17/h3-5,7-8,13,18H,6,9-12,14H2,1-2H3,(H,23,25)/p+1/t18-/m0/s1