1-(4-cyanophenyl)-3-[4-(4-ethylpiperazin-1-ium-1-yl)butyl]urea

Systemtic Name: 1-(4-cyanophenyl)-3-[4-(4-ethylpiperazin-1-ium-1-yl)butyl]urea Openeye Name: 1-(4-cyanophenyl)-3-[4-(4-ethylpiperazin-1-ium-1-yl)butyl]urea CAS Name: 1-(4-cyanophenyl)-3-[4-(4-ethyl-1-piperazin-1-iumyl)butyl]urea IUPAC Name: 1-(4-cyanophenyl)-3-[4-(4-ethylpiperazin-1-ium-1-yl)butyl]urea Traditional Name: 1-(4-cyanophenyl)-3-[4-(4-ethylpiperazin-1-ium-1-yl)butyl]urea Formula: C18H28N5O+ MolecularWeight: 330.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CCCCNC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCN1CC[NH+](CC1)CCCCNC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H27N5O/c1-2-22-11-13-23(14-12-22)10-4-3-9-20-18(24)21-17-7-5-16(15-19)6-8-17/h5-8H,2-4,9-14H2,1H3,(H2,20,21,24)/p+1