N-[4-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1H-indol-2-yl)phenyl]-1-[(2-methyl-5-pyrimidinyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C26H28N5O+ MolecularWeight: 426.53342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=CC5=CC=CC=C5N4

Isomeric SMILES

CC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C26H27N5O/c1-18-27-15-19(16-28-18)17-31-12-10-21(11-13-31)26(32)29-23-8-6-20(7-9-23)25-14-22-4-2-3-5-24(22)30-25/h2-9,14-16,21,30H,10-13,17H2,1H3,(H,29,32)/p+1