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

Systemtic Name: 2-azanyl-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-6-methyl-pyrimidine-4-carboxamide Openeye Name: 2-amino-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-6-methyl-pyrimidine-4-carboxamide CAS Name: 2-amino-N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-6-methyl-4-pyrimidinecarboxamide IUPAC Name: 2-amino-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-6-methylpyrimidine-4-carboxamide Traditional Name: 2-amino-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-6-methyl-pyrimidine-4-carboxamide Formula: C18H30N5O+ MolecularWeight: 332.4637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)NC2CCC[NH+](C2)C3CCCCCC3)N

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3)N

InChI

InChI=1S/C18H29N5O/c1-13-11-16(22-18(19)20-13)17(24)21-14-7-6-10-23(12-14)15-8-4-2-3-5-9-15/h11,14-15H,2-10,12H2,1H3,(H,21,24)(H2,19,20,22)/p+1/t14-/m0/s1