[4-(azepan-1-yl)-1-methyl-piperidin-1-ium-4-yl]methylazanium

Systemtic Name: [4-(azepan-1-yl)-1-methyl-piperidin-1-ium-4-yl]methylazanium Openeye Name: [4-(azepan-1-yl)-1-methyl-piperidin-1-ium-4-yl]methylammonium CAS Name: [4-(1-azepanyl)-1-methyl-4-piperidin-1-iumyl]methylammonium IUPAC Name: [4-(azepan-1-yl)-1-methylpiperidin-1-ium-4-yl]methylazanium Traditional Name: [4-(azepan-1-yl)-1-methyl-piperidin-1-ium-4-yl]methylammonium Formula: C13H29N3+2 MolecularWeight: 227.38946

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C[NH3+])N2CCCCCC2

Isomeric SMILES

C[NH+]1CCC(CC1)(C[NH3+])N2CCCCCC2

InChI

InChI=1S/C13H27N3/c1-15-10-6-13(12-14,7-11-15)16-8-4-2-3-5-9-16/h2-12,14H2,1H3/p+2