1-[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine

Systemtic Name: 1-[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Openeye Name: 1-[(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine CAS Name: 1-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]-4-phenylpiperazine Traditional Name: 1-[(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Formula: C22H31N4+ MolecularWeight: 351.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H30N4/c1-19-7-5-8-20(23-19)17-24-12-6-11-22(18-24)26-15-13-25(14-16-26)21-9-3-2-4-10-21/h2-5,7-10,22H,6,11-18H2,1H3/p+1/t22-/m0/s1