5-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]pyrimidin-2-amine

Systemtic Name: 5-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]pyrimidin-2-amine Openeye Name: 5-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]pyrimidin-2-amine CAS Name: 5-[[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]-2-pyrimidinamine IUPAC Name: 5-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]pyrimidin-2-amine Traditional Name: [5-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methyl]pyrimidin-2-yl]amine Formula: C21H31N6O+ MolecularWeight: 383.51044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=CN=C(N=C4)N

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CN=C(N=C4)N

InChI

InChI=1S/C21H30N6O/c1-28-20-7-3-2-6-19(20)27-11-9-26(10-12-27)18-5-4-8-25(16-18)15-17-13-23-21(22)24-14-17/h2-3,6-7,13-14,18H,4-5,8-12,15-16H2,1H3,(H2,22,23,24)/p+1/t18-/m0/s1