1-[3-(azocan-1-yl)propyl]-3-[(E)-(1-oxidanidyl-3H-pyrrol-1-ium-5-yl)methylideneamino]urea

Systemtic Name: 1-[3-(azocan-1-yl)propyl]-3-[(E)-(1-oxidanidyl-3H-pyrrol-1-ium-5-yl)methylideneamino]urea Openeye Name: 1-[3-(azocan-1-yl)propyl]-3-[(E)-(1-oxido-3H-pyrrol-1-ium-5-yl)methyleneamino]urea CAS Name: 1-[3-(1-azocanyl)propyl]-3-[(E)-(1-oxido-3H-pyrrol-1-ium-5-yl)methylideneamino]urea IUPAC Name: 1-[3-(azocan-1-yl)propyl]-3-[(E)-(1-oxido-3H-pyrrol-1-ium-5-yl)methylideneamino]urea Traditional Name: 1-[3-(azocan-1-yl)propyl]-3-[(E)-(1-oxido-3H-pyrrol-1-ium-5-yl)methyleneamino]urea Formula: C16H27N5O2 MolecularWeight: 321.41788

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CCCNC(=O)NN=CC2=CCC=[N+]2[O-]

Isomeric SMILES

C1CCCN(CCC1)CCCNC(=O)N/N=C/C2=CCC=[N+]2[O-]

InChI

InChI=1S/C16H27N5O2/c22-16(19-18-14-15-8-6-13-21(15)23)17-9-7-12-20-10-4-2-1-3-5-11-20/h8,13-14H,1-7,9-12H2,(H2,17,19,22)/b18-14+