4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine

Systemtic Name: 4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-(1-piperidyl)-1,3,5-triazin-2-amine CAS Name: 4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-6-(1-piperidinyl)-1,3,5-triazin-2-amine IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine Traditional Name: [4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-6-piperidino-s-triazin-2-yl]amine Formula: C20H30N7+ MolecularWeight: 368.4991

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4)N

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4)N

InChI

InChI=1S/C20H29N7/c21-19-22-18(23-20(24-19)27-9-5-2-6-10-27)16-26-13-11-25(12-14-26)15-17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2,(H2,21,22,23,24)/p+1