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

Systemtic Name: [1-[(1S)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]piperidin-1-ium-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperidin-1-ium-4-yl]-(1-piperidyl)methanone CAS Name: [1-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]-4-piperidin-1-iumyl]-(1-piperidinyl)methanone IUPAC Name: [1-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperidin-1-ium-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-[(1S)-1-(4-amino-6-anilino-s-triazin-2-yl)ethyl]piperidin-1-ium-4-yl]-piperidino-methanone Formula: C22H32N7O+ MolecularWeight: 410.53578

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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)N4CCCCC4

Isomeric SMILES

C[C@@H](C1=NC(=NC(=N1)NC2=CC=CC=C2)N)[NH+]3CCC(CC3)C(=O)N4CCCCC4

InChI

InChI=1S/C22H31N7O/c1-16(19-25-21(23)27-22(26-19)24-18-8-4-2-5-9-18)28-14-10-17(11-15-28)20(30)29-12-6-3-7-13-29/h2,4-5,8-9,16-17H,3,6-7,10-15H2,1H3,(H3,23,24,25,26,27)/p+1/t16-/m0/s1