1-methyl-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]-1,4-diazepan-1-ium CAS Name: 1-methyl-4-[[(2S)-2-pyrrolidin-1-iumyl]methyl]-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]-1,4-diazepan-1-ium Formula: C11H25N3+2 MolecularWeight: 199.3363

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC2CCC[NH2+]2

Isomeric SMILES

C[NH+]1CCCN(CC1)C[C@@H]2CCC[NH2+]2

InChI

InChI=1S/C11H23N3/c1-13-6-3-7-14(9-8-13)10-11-4-2-5-12-11/h11-12H,2-10H2,1H3/p+2/t11-/m0/s1