2-[(4S)-4-azanyl-5-(4-ethylpiperazin-1-yl)-5-oxidanylidene-pentyl]-1-nitro-guanidine

Systemtic Name: 2-[(4S)-4-azanyl-5-(4-ethylpiperazin-1-yl)-5-oxidanylidene-pentyl]-1-nitro-guanidine Openeye Name: 2-[(4S)-4-amino-5-(4-ethylpiperazin-1-yl)-5-oxo-pentyl]-1-nitro-guanidine CAS Name: 2-[(4S)-4-amino-5-(4-ethyl-1-piperazinyl)-5-oxopentyl]-1-nitroguanidine IUPAC Name: 2-[(4S)-4-amino-5-(4-ethylpiperazin-1-yl)-5-oxopentyl]-1-nitroguanidine Traditional Name: 2-[(4S)-4-amino-5-(4-ethylpiperazino)-5-keto-pentyl]-1-nitro-guanidine Formula: C12H25N7O3 MolecularWeight: 315.372

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(CCCN=C(N)N[N+](=O)[O-])N

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N

InChI

InChI=1S/C12H25N7O3/c1-2-17-6-8-18(9-7-17)11(20)10(13)4-3-5-15-12(14)16-19(21)22/h10H,2-9,13H2,1H3,(H3,14,15,16)/t10-/m0/s1