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

Systemtic Name: N-(4-butylphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(4-butylphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide CAS Name: N-(4-butylphenyl)-4-phenethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-butylphenyl)-4-phenethylpiperazin-4-ium-1-carboxamide Traditional Name: N-(4-butylphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O/c1-2-3-7-21-10-12-22(13-11-21)24-23(27)26-18-16-25(17-19-26)15-14-20-8-5-4-6-9-20/h4-6,8-13H,2-3,7,14-19H2,1H3,(H,24,27)/p+1