1-[(1S)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1S)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]-N-benzyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]-N-benzylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-1-(4-amino-6-anilino-s-triazin-2-yl)ethyl]-N-benzyl-piperidin-1-ium-4-carboxamide Formula: C24H30N7O+ MolecularWeight: 432.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)NC2=CC=CC=C2)N)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=NC(=NC(=N1)NC2=CC=CC=C2)N)[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H29N7O/c1-17(21-28-23(25)30-24(29-21)27-20-10-6-3-7-11-20)31-14-12-19(13-15-31)22(32)26-16-18-8-4-2-5-9-18/h2-11,17,19H,12-16H2,1H3,(H,26,32)(H3,25,27,28,29,30)/p+1/t17-/m0/s1