[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium

Systemtic Name: [2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-cyclopentyl-amino]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-cyclopentylamino]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-cyclopentyl-amino]-2-keto-ethyl]-cyclooctyl-ammonium Formula: C23H40N5O3+ MolecularWeight: 434.5954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)C[NH2+]C3CCCCCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)C[NH2+]C3CCCCCCC3)N

InChI

InChI=1S/C23H39N5O3/c1-2-3-15-27-21(24)20(22(30)26-23(27)31)28(18-13-9-10-14-18)19(29)16-25-17-11-7-5-4-6-8-12-17/h17-18,25H,2-16,24H2,1H3,(H,26,30,31)/p+1