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

Systemtic Name: 2-azanyl-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-6-propan-2-yl-pyrimidine-4-carboxamide Openeye Name: 2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-6-isopropyl-pyrimidine-4-carboxamide CAS Name: 2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-6-propan-2-yl-4-pyrimidinecarboxamide IUPAC Name: 2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide Traditional Name: 2-amino-N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-6-isopropyl-pyrimidine-4-carboxamide Formula: C20H27ClN5O+ MolecularWeight: 388.91428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1)C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC(C)C1=NC(=NC(=C1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C20H26ClN5O/c1-13(2)17-10-18(25-20(22)24-17)19(27)23-16-4-3-9-26(12-16)11-14-5-7-15(21)8-6-14/h5-8,10,13,16H,3-4,9,11-12H2,1-2H3,(H,23,27)(H2,22,24,25)/p+1/t16-/m0/s1