methyl-(phenylmethyl)-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]azanium

Systemtic Name: methyl-(phenylmethyl)-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]azanium Openeye Name: benzyl-methyl-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-3-piperidyl]ammonium CAS Name: methyl-(phenylmethyl)-[(3S)-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidinyl]ammonium IUPAC Name: benzyl-methyl-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3-piperidyl]ammonium Formula: C22H28N5+ MolecularWeight: 362.49122

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)CC3=CC=CN3C4=NC=CC=N4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)CC3=CC=CN3C4=NC=CC=N4

InChI

InChI=1S/C22H27N5/c1-25(16-19-8-3-2-4-9-19)20-10-5-14-26(17-20)18-21-11-6-15-27(21)22-23-12-7-13-24-22/h2-4,6-9,11-13,15,20H,5,10,14,16-18H2,1H3/p+1/t20-/m0/s1