2-[4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]piperazin-4-ium-1-yl]pyrimidine Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@@H](CCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C19H26N4O/c1-16(4-5-17-6-8-18(24-2)9-7-17)22-12-14-23(15-13-22)19-20-10-3-11-21-19/h3,6-11,16H,4-5,12-15H2,1-2H3/p+1/t16-/m0/s1