1-methyl-4-(piperidin-1-ium-4-ylmethyl)-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-(piperidin-1-ium-4-ylmethyl)-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-(piperidin-1-ium-4-ylmethyl)-1,4-diazepan-1-ium CAS Name: 1-methyl-4-(4-piperidin-1-iumylmethyl)-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-(piperidin-1-ium-4-ylmethyl)-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-(piperidin-1-ium-4-ylmethyl)-1,4-diazepan-1-ium Formula: C12H27N3+2 MolecularWeight: 213.36288

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC2CC[NH2+]CC2

Isomeric SMILES

C[NH+]1CCCN(CC1)CC2CC[NH2+]CC2

InChI

InChI=1S/C12H25N3/c1-14-7-2-8-15(10-9-14)11-12-3-5-13-6-4-12/h12-13H,2-11H2,1H3/p+2