N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(4-butylphenyl)-4-(3-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(4-butylphenyl)-4-(3-pyridinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(4-butylphenyl)-4-(3-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C21H28N4O/c1-2-3-5-18-7-9-20(10-8-18)23-21(26)25-14-12-24(13-15-25)17-19-6-4-11-22-16-19/h4,6-11,16H,2-3,5,12-15,17H2,1H3,(H,23,26)/p+1