1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium

Systemtic Name: 1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium Openeye Name: 1-[(2R)-2-(2-isopropylimidazol-1-yl)propyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium CAS Name: 1-[(2R)-2-(2-propan-2-yl-1-imidazolyl)propyl]-4-(2-pyrimidinyl)-1,4-diazepan-1-ium IUPAC Name: 1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium Traditional Name: 1-[(2R)-2-(2-isopropylimidazol-1-yl)propyl]-4-(2-pyrimidyl)-1,4-diazepan-1-ium Formula: C18H29N6+ MolecularWeight: 329.46306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=CN1C(C)C[NH+]2CCCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[C@H](C[NH+]1CCCN(CC1)C2=NC=CC=N2)N3C=CN=C3C(C)C

InChI

InChI=1S/C18H28N6/c1-15(2)17-19-8-11-24(17)16(3)14-22-9-5-10-23(13-12-22)18-20-6-4-7-21-18/h4,6-8,11,15-16H,5,9-10,12-14H2,1-3H3/p+1/t16-/m1/s1