2-[4-[2-(azepan-1-yl)pyrimidin-4-yl]phenyl]ethylazanium

Systemtic Name: 2-[4-[2-(azepan-1-yl)pyrimidin-4-yl]phenyl]ethylazanium Openeye Name: 2-[4-[2-(azepan-1-yl)pyrimidin-4-yl]phenyl]ethylammonium CAS Name: 2-[4-[2-(1-azepanyl)-4-pyrimidinyl]phenyl]ethylammonium IUPAC Name: 2-[4-[2-(azepan-1-yl)pyrimidin-4-yl]phenyl]ethylazanium Traditional Name: 2-[4-[2-(azepan-1-yl)pyrimidin-4-yl]phenyl]ethylammonium Formula: C18H25N4+ MolecularWeight: 297.4179

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=CC(=N2)C3=CC=C(C=C3)CC[NH3+]

Isomeric SMILES

C1CCCN(CC1)C2=NC=CC(=N2)C3=CC=C(C=C3)CC[NH3+]

InChI

InChI=1S/C18H24N4/c19-11-9-15-5-7-16(8-6-15)17-10-12-20-18(21-17)22-13-3-1-2-4-14-22/h5-8,10,12H,1-4,9,11,13-14,19H2/p+1