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

Systemtic Name: [(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(4-pyridylmethyl)ammonium CAS Name: [(1S)-1-[2-(1-azocanyl)-4-methyl-5-pyrimidinyl]ethyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(1S)-1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(1S)-1-[2-(azocan-1-yl)-4-methyl-pyrimidin-5-yl]ethyl]-(4-pyridylmethyl)ammonium Formula: C20H30N5+ MolecularWeight: 340.4857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5/c1-16(22-14-18-8-10-21-11-9-18)19-15-23-20(24-17(19)2)25-12-6-4-3-5-7-13-25/h8-11,15-16,22H,3-7,12-14H2,1-2H3/p+1/t16-/m0/s1