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

Systemtic Name: [4-[2-(azepan-1-yl)pyrimidin-4-yl]phenyl]methylazanium Openeye Name: [4-[2-(azepan-1-yl)pyrimidin-4-yl]phenyl]methylammonium CAS Name: [4-[2-(1-azepanyl)-4-pyrimidinyl]phenyl]methylammonium IUPAC Name: [4-[2-(azepan-1-yl)pyrimidin-4-yl]phenyl]methylazanium Traditional Name: [4-[2-(azepan-1-yl)pyrimidin-4-yl]benzyl]ammonium Formula: C17H23N4+ MolecularWeight: 283.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4/c18-13-14-5-7-15(8-6-14)16-9-10-19-17(20-16)21-11-3-1-2-4-12-21/h5-10H,1-4,11-13,18H2/p+1