(4-butoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H27N3O2/c1-2-3-16-26-20-6-4-19(5-7-20)21(25)24-14-12-23(13-15-24)17-18-8-10-22-11-9-18/h4-11H,2-3,12-17H2,1H3/p+1