1-(azepan-1-yl)-3-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-piperazin-4-ium-1-yl-propan-1-one Openeye Name: 1-(azepan-1-yl)-3-piperazin-4-ium-1-yl-propan-1-one CAS Name: 1-(1-azepanyl)-3-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-piperazin-4-ium-1-ylpropan-1-one Traditional Name: 1-(azepan-1-yl)-3-piperazin-4-ium-1-yl-propan-1-one Formula: C13H26N3O+ MolecularWeight: 240.36504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2CC[NH2+]CC2

Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2CC[NH2+]CC2

InChI

InChI=1S/C13H25N3O/c17-13(16-8-3-1-2-4-9-16)5-10-15-11-6-14-7-12-15/h14H,1-12H2/p+1