1-[(4-ethenylphenyl)methyl]-1,9-diaza-5-azoniacyclododecane nitrate

Systemtic Name: 1-[(4-ethenylphenyl)methyl]-1,9-diaza-5-azoniacyclododecane nitrate Openeye Name: 1-[(4-vinylphenyl)methyl]-1,9-diaza-5-azoniacyclododecane nitrate CAS Name: 1-[(4-ethenylphenyl)methyl]-1,9-diaza-5-azoniacyclododecane nitrate IUPAC Name: 1-[(4-ethenylphenyl)methyl]-1,9-diaza-5-azoniacyclododecane nitrate Traditional Name: 1-(4-vinylbenzyl)-1,9-diaza-5-azoniacyclododecane nitrate Formula: C18H30N4O3 MolecularWeight: 350.4558

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)CN2CCC[NH2+]CCCNCCC2.[N+](=O)([O-])[O-]

Isomeric SMILES

C=CC1=CC=C(C=C1)CN2CCC[NH2+]CCCNCCC2.[N+](=O)([O-])[O-]

InChI

InChI=1S/C18H29N3.NO3/c1-2-17-6-8-18(9-7-17)16-21-14-4-12-19-10-3-11-20-13-5-15-21;2-1(3)4/h2,6-9,19-20H,1,3-5,10-16H2;/q;-1/p+1