N-butyl-4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-butyl-4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-butyl-4-(p-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-butyl-4-[(4-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-butyl-4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-butyl-4-(4-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C

Isomeric SMILES

CCCCNC(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)C

InChI

InChI=1S/C17H27N3O/c1-3-4-9-18-17(21)20-12-10-19(11-13-20)14-16-7-5-15(2)6-8-16/h5-8H,3-4,9-14H2,1-2H3,(H,18,21)/p+1