N-(4-butylphenyl)-4-cyclohexyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-butylphenyl)-4-cyclohexyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(4-butylphenyl)-4-cyclohexyl-piperazin-4-ium-1-carboxamide CAS Name: N-(4-butylphenyl)-4-cyclohexyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-butylphenyl)-4-cyclohexylpiperazin-4-ium-1-carboxamide Traditional Name: N-(4-butylphenyl)-4-cyclohexyl-piperazin-4-ium-1-carboxamide Formula: C21H34N3O+ MolecularWeight: 344.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)C3CCCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)C3CCCCC3

InChI

InChI=1S/C21H33N3O/c1-2-3-7-18-10-12-19(13-11-18)22-21(25)24-16-14-23(15-17-24)20-8-5-4-6-9-20/h10-13,20H,2-9,14-17H2,1H3,(H,22,25)/p+1