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

Systemtic Name: 2-azanyl-6-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrimidine-4-carboxamide Openeye Name: 2-amino-6-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrimidine-4-carboxamide CAS Name: 2-amino-6-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-4-pyrimidinecarboxamide IUPAC Name: 2-amino-6-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrimidine-4-carboxamide Traditional Name: 2-amino-6-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]pyrimidine-4-carboxamide Formula: C19H26N5O+ MolecularWeight: 340.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O/c1-14-12-17(23-19(20)21-14)18(25)22-16-8-5-10-24(13-16)11-9-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H,22,25)(H2,20,21,23)/p+1/t16-/m0/s1