(2-azanyl-6-propan-2-yl-pyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone

Systemtic Name: (2-azanyl-6-propan-2-yl-pyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: (2-amino-6-isopropyl-pyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: (2-amino-6-propan-2-yl-4-pyrimidinyl)-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: (2-amino-6-propan-2-ylpyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: (2-amino-6-isopropyl-pyrimidin-4-yl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C24H35N6O2+ MolecularWeight: 439.5737

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC)N

Isomeric SMILES

CC(C)C1=NC(=NC(=C1)C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC)N

InChI

InChI=1S/C24H34N6O2/c1-17(2)19-15-20(27-24(25)26-19)23(31)30-10-6-7-18(16-30)28-11-13-29(14-12-28)21-8-4-5-9-22(21)32-3/h4-5,8-9,15,17-18H,6-7,10-14,16H2,1-3H3,(H2,25,26,27)/p+1/t18-/m0/s1