1-[(Z)-[4-(azepan-1-ium-1-ylmethyl)thiophen-2-yl]methylideneamino]urea

Systemtic Name: 1-[(Z)-[4-(azepan-1-ium-1-ylmethyl)thiophen-2-yl]methylideneamino]urea Openeye Name: [(Z)-[4-(azepan-1-ium-1-ylmethyl)-2-thienyl]methyleneamino]urea CAS Name: [(Z)-[4-(1-azepan-1-iumylmethyl)-2-thiophenyl]methylideneamino]urea IUPAC Name: [(Z)-[4-(azepan-1-ium-1-ylmethyl)thiophen-2-yl]methylideneamino]urea Traditional Name: [(Z)-[4-(azepan-1-ium-1-ylmethyl)-2-thienyl]methyleneamino]urea Formula: C13H21N4OS+ MolecularWeight: 281.39704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=C2)C=NNC(=O)N

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=C2)/C=N\NC(=O)N

InChI

InChI=1S/C13H20N4OS/c14-13(18)16-15-8-12-7-11(10-19-12)9-17-5-3-1-2-4-6-17/h7-8,10H,1-6,9H2,(H3,14,16,18)/p+1/b15-8-