[(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(phenylmethyl)azanium

Systemtic Name: [(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(phenylmethyl)azanium Openeye Name: [(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-benzyl-ammonium CAS Name: [(1S)-1-[2-(1-azocanyl)-4-methyl-5-pyrimidinyl]ethyl]-(phenylmethyl)ammonium IUPAC Name: [(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-benzylazanium Traditional Name: [(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-benzyl-ammonium Formula: C21H31N4+ MolecularWeight: 339.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]CC2=CC=CC=C2)N3CCCCCCC3

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)[NH2+]CC2=CC=CC=C2)N3CCCCCCC3

InChI

InChI=1S/C21H30N4/c1-17(22-15-19-11-7-6-8-12-19)20-16-23-21(24-18(20)2)25-13-9-4-3-5-10-14-25/h6-8,11-12,16-17,22H,3-5,9-10,13-15H2,1-2H3/p+1/t17-/m0/s1