[2-(azepan-1-yl)pyridin-1-ium-3-yl]methylazanium

Systemtic Name: [2-(azepan-1-yl)pyridin-1-ium-3-yl]methylazanium Openeye Name: [2-(azepan-1-yl)pyridin-1-ium-3-yl]methylammonium CAS Name: [2-(1-azepanyl)-3-pyridin-1-iumyl]methylammonium IUPAC Name: [2-(azepan-1-yl)pyridin-1-ium-3-yl]methylazanium Traditional Name: [2-(azepan-1-yl)pyridin-1-ium-3-yl]methylammonium Formula: C12H21N3+2 MolecularWeight: 207.31524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=CC=[NH+]2)C[NH3+]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=CC=[NH+]2)C[NH3+]

InChI

InChI=1S/C12H19N3/c13-10-11-6-5-7-14-12(11)15-8-3-1-2-4-9-15/h5-7H,1-4,8-10,13H2/p+2