N-(3-imidazol-1-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-[3-(1-imidazolyl)propyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-(3-imidazol-1-ylpropyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: 3-imidazol-1-ylpropyl(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine Formula: C12H21N4+ MolecularWeight: 221.32194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NCCCN2C=CN=C2

Isomeric SMILES

C1CCC(=[NH+]CC1)NCCCN2C=CN=C2

InChI

InChI=1S/C12H20N4/c1-2-5-12(14-6-3-1)15-7-4-9-16-10-8-13-11-16/h8,10-11H,1-7,9H2,(H,14,15)/p+1