[2-(azepan-1-yl)-6-phenyl-pyrimidin-4-yl]methylazanium

Systemtic Name: [2-(azepan-1-yl)-6-phenyl-pyrimidin-4-yl]methylazanium Openeye Name: [2-(azepan-1-yl)-6-phenyl-pyrimidin-4-yl]methylammonium CAS Name: [2-(1-azepanyl)-6-phenyl-4-pyrimidinyl]methylammonium IUPAC Name: [2-(azepan-1-yl)-6-phenylpyrimidin-4-yl]methylazanium Traditional Name: [2-(azepan-1-yl)-6-phenyl-pyrimidin-4-yl]methylammonium Formula: C17H23N4+ MolecularWeight: 283.39132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4/c18-13-15-12-16(14-8-4-3-5-9-14)20-17(19-15)21-10-6-1-2-7-11-21/h3-5,8-9,12H,1-2,6-7,10-11,13,18H2/p+1